REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1ajp_1_B DATA FIRST_RESID 1 DATA SEQUENCE SNMWVIGKSK AQDAKAIMVN GPQFGWYAPA YTYGIGLHGA GYDVTGNTPF DATA SEQUENCE AYPGLVFGHN GVISWGSTAG FGDDVDIFAE RLSAEKPGYY LHNGKWVKML DATA SEQUENCE SREETITVKN GQAETFTVWR TVHGNILQTD QTTQTAYAKS RAWDGKEVAS DATA SEQUENCE LLAWTHQMKA KNWQQWTQQA AKQALTINWY YADVNGNIGY VHTGAYPDRQ DATA SEQUENCE SGHDPRLPVP GTGKWDWKGL LPFEMNPKVY NPQSGYIANW NNSPQKDYPA DATA SEQUENCE SDLFAFLWGG ADRVTEIDRL LEQKPRLTAD QAWDVIRQTS RQDLNLRLFL DATA SEQUENCE PTLQAATSGL TQSDPRRQLV ETLTRWDGIN LLNDDGKTWQ QPGSAILNVW DATA SEQUENCE LTSMLKRTVV AAVPMPFDKW YSASGYETTQ DGPTGSLNIS VGAKILYEAV DATA SEQUENCE QGDKSPIPQA VDLFAGKPQQ EVVLAALEDT WETLSKRYGN NVSNWKTPAM DATA SEQUENCE ALTFRANNFF GVPQAAAEET RHQAEYQNRG TENDMIVFSP TTSDRPVLAW DATA SEQUENCE DVVAPGQSGF IAPDGTVDKH YEDQLKMYEN FGRKSLWLTK QDVEAHKESQ DATA SEQUENCE EVLHVQR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.666 174.600 0.109 0.000 1.055 1 S CA 0.000 58.265 58.200 0.108 0.000 1.107 1 S CB 0.000 63.228 63.200 0.046 0.000 0.593 2 N N 0.576 119.141 118.700 -0.225 0.000 2.577 2 N HA 0.885 5.621 4.740 -0.006 0.000 0.285 2 N C -1.196 174.116 175.510 -0.331 0.000 1.309 2 N CA -0.937 51.919 53.050 -0.323 0.000 0.798 2 N CB 1.795 39.753 38.487 -0.881 0.000 1.463 2 N HN 0.497 nan 8.380 nan 0.000 0.518 3 M N 0.295 119.728 119.600 -0.279 0.000 2.426 3 M HA 0.437 4.914 4.480 -0.006 0.000 0.289 3 M C -2.498 173.734 176.300 -0.112 0.000 1.168 3 M CA -0.354 54.672 55.300 -0.457 0.000 0.933 3 M CB 1.613 33.773 32.600 -0.733 0.000 1.750 3 M HN 0.808 nan 8.290 nan 0.000 0.494 4 W N 3.454 124.616 121.300 -0.231 0.000 2.998 4 W HA 0.841 5.498 4.660 -0.005 0.000 0.335 4 W C -2.034 174.446 176.519 -0.066 0.000 1.110 4 W CA -1.254 56.017 57.345 -0.123 0.000 1.230 4 W CB 0.811 30.198 29.460 -0.122 0.000 1.405 4 W HN 0.503 nan 8.180 nan 0.000 0.493 5 V N 4.380 124.412 119.914 0.197 0.000 2.487 5 V HA 0.466 4.583 4.120 -0.006 0.000 0.298 5 V C -0.475 175.743 176.094 0.207 0.000 1.028 5 V CA -1.030 61.362 62.300 0.153 0.000 0.860 5 V CB 1.506 33.435 31.823 0.177 0.000 0.991 5 V HN 0.590 nan 8.190 nan 0.000 0.427 6 I N 3.895 124.565 120.570 0.167 0.000 2.355 6 I HA 0.630 4.797 4.170 -0.006 0.000 0.288 6 I C 0.976 177.158 176.117 0.109 0.000 0.999 6 I CA 0.169 61.560 61.300 0.153 0.000 1.163 6 I CB 1.667 39.742 38.000 0.124 0.000 1.316 6 I HN 0.744 nan 8.210 nan 0.000 0.454 7 G N 4.067 112.922 108.800 0.092 0.000 2.543 7 G HA2 0.226 4.183 3.960 -0.006 0.000 0.290 7 G HA3 0.226 4.183 3.960 -0.006 0.000 0.290 7 G C 0.678 175.598 174.900 0.033 0.000 1.310 7 G CA -0.440 44.686 45.100 0.044 0.000 1.025 7 G HN 0.638 nan 8.290 nan 0.000 0.502 8 K N -0.750 119.655 120.400 0.009 0.000 2.049 8 K HA -0.257 4.059 4.320 -0.006 0.000 0.219 8 K C 2.874 179.480 176.600 0.010 0.000 1.056 8 K CA 2.525 58.816 56.287 0.007 0.000 0.946 8 K CB -0.248 32.244 32.500 -0.013 0.000 0.723 8 K HN 0.509 nan 8.250 nan 0.000 0.453 9 S N -0.069 115.634 115.700 0.006 0.000 2.453 9 S HA -0.044 4.422 4.470 -0.006 0.000 0.231 9 S C 1.630 176.242 174.600 0.019 0.000 1.005 9 S CA 0.834 59.039 58.200 0.008 0.000 0.949 9 S CB 0.142 63.343 63.200 0.002 0.000 0.774 9 S HN 0.206 nan 8.310 nan 0.000 0.510 10 K N 0.732 121.152 120.400 0.033 0.000 2.355 10 K HA 0.423 4.740 4.320 -0.006 0.000 0.198 10 K C 0.449 177.061 176.600 0.020 0.000 1.039 10 K CA 0.259 56.564 56.287 0.031 0.000 1.075 10 K CB 0.707 33.244 32.500 0.062 0.000 0.870 10 K HN 0.457 nan 8.250 nan 0.000 0.540 11 A N 1.538 124.374 122.820 0.027 0.000 2.316 11 A HA 0.289 4.606 4.320 -0.006 0.000 0.284 11 A C -0.524 177.071 177.584 0.018 0.000 1.115 11 A CA -0.162 51.893 52.037 0.029 0.000 0.812 11 A CB 0.851 19.877 19.000 0.043 0.000 1.064 11 A HN 0.124 nan 8.150 nan 0.000 0.489 12 Q N 1.035 120.843 119.800 0.014 0.000 2.325 12 Q HA 0.471 4.807 4.340 -0.006 0.000 0.270 12 Q C -1.090 174.918 176.000 0.013 0.000 1.020 12 Q CA -0.034 55.775 55.803 0.009 0.000 0.785 12 Q CB 1.013 29.750 28.738 -0.002 0.000 1.259 12 Q HN 0.705 nan 8.270 nan 0.000 0.452 13 D N 1.640 122.050 120.400 0.016 0.000 3.017 13 D HA -0.156 4.480 4.640 -0.006 0.000 0.220 13 D C -0.928 175.391 176.300 0.030 0.000 1.141 13 D CA 1.430 55.442 54.000 0.020 0.000 0.848 13 D CB -1.388 39.421 40.800 0.016 0.000 1.102 13 D HN 0.744 nan 8.370 nan 0.000 0.427 14 A N -1.119 121.723 122.820 0.036 0.000 2.515 14 A HA 0.572 4.888 4.320 -0.006 0.000 0.292 14 A C 0.131 177.748 177.584 0.055 0.000 1.065 14 A CA -0.564 51.504 52.037 0.051 0.000 0.641 14 A CB 0.929 19.962 19.000 0.055 0.000 1.306 14 A HN -0.109 nan 8.150 nan 0.000 0.441 15 K N -0.307 120.139 120.400 0.076 0.000 2.367 15 K HA 0.539 4.856 4.320 -0.006 0.000 0.195 15 K C 0.305 176.950 176.600 0.076 0.000 1.060 15 K CA 1.049 57.373 56.287 0.062 0.000 1.022 15 K CB 1.236 33.767 32.500 0.053 0.000 0.894 15 K HN 1.179 nan 8.250 nan 0.000 0.540 16 A N 1.339 124.232 122.820 0.121 0.000 2.577 16 A HA 0.660 4.976 4.320 -0.006 0.000 0.297 16 A C -1.575 176.094 177.584 0.143 0.000 1.060 16 A CA -0.706 51.413 52.037 0.136 0.000 0.697 16 A CB 1.117 20.204 19.000 0.146 0.000 1.281 16 A HN 0.111 nan 8.150 nan 0.000 0.402 17 I N 1.899 122.533 120.570 0.107 0.000 2.619 17 I HA 0.610 4.776 4.170 -0.006 0.000 0.292 17 I C -0.406 175.742 176.117 0.052 0.000 1.100 17 I CA -0.300 61.041 61.300 0.069 0.000 1.043 17 I CB 2.342 40.386 38.000 0.075 0.000 1.239 17 I HN 0.806 nan 8.210 nan 0.000 0.420 18 M N 7.203 126.798 119.600 -0.008 0.000 2.204 18 M HA 0.714 5.191 4.480 -0.006 0.000 0.293 18 M C -2.154 174.038 176.300 -0.179 0.000 0.994 18 M CA -0.496 54.765 55.300 -0.066 0.000 0.925 18 M CB 1.795 34.380 32.600 -0.025 0.000 1.577 18 M HN 0.341 nan 8.290 nan 0.000 0.439 19 V N 4.621 124.285 119.914 -0.416 0.000 2.540 19 V HA 0.548 4.664 4.120 -0.006 0.000 0.302 19 V C -0.861 174.744 176.094 -0.814 0.000 1.035 19 V CA -0.655 61.258 62.300 -0.644 0.000 0.873 19 V CB 1.952 33.149 31.823 -1.043 0.000 0.992 19 V HN 0.984 nan 8.190 nan 0.000 0.428 20 N N 2.278 120.618 118.700 -0.600 0.000 2.295 20 N HA 0.672 5.409 4.740 -0.006 0.000 0.293 20 N C -0.382 174.811 175.510 -0.528 0.000 1.040 20 N CA -0.408 52.328 53.050 -0.523 0.000 0.840 20 N CB 2.018 40.340 38.487 -0.275 0.000 1.468 20 N HN 0.916 nan 8.380 nan 0.000 0.478 21 G N 3.338 111.829 108.800 -0.516 0.000 3.749 21 G HA2 0.305 4.262 3.960 -0.006 0.000 0.339 21 G HA3 0.305 4.262 3.960 -0.006 0.000 0.339 21 G C -2.803 171.878 174.900 -0.365 0.000 1.513 21 G CA -0.989 43.859 45.100 -0.419 0.000 1.035 21 G HN 0.380 nan 8.290 nan 0.000 0.480 22 P HA 0.086 nan 4.420 nan 0.000 0.271 22 P C -0.619 176.278 177.300 -0.672 0.000 1.220 22 P CA 0.280 63.071 63.100 -0.516 0.000 0.768 22 P CB 1.424 32.827 31.700 -0.494 0.000 0.848 23 Q N 2.490 121.877 119.800 -0.688 0.000 2.394 23 Q HA 0.339 4.675 4.340 -0.006 0.000 0.259 23 Q C -0.538 175.077 176.000 -0.642 0.000 1.021 23 Q CA -0.303 55.169 55.803 -0.552 0.000 0.805 23 Q CB 0.889 29.505 28.738 -0.205 0.000 1.226 23 Q HN 0.460 nan 8.270 nan 0.000 0.476 24 F N 0.414 120.060 119.950 -0.507 0.000 2.746 24 F HA 0.386 4.910 4.527 -0.006 0.000 0.320 24 F C 1.069 176.598 175.800 -0.452 0.000 1.097 24 F CA 0.122 57.797 58.000 -0.541 0.000 1.195 24 F CB 1.290 39.657 39.000 -1.054 0.000 1.056 24 F HN 0.727 nan 8.300 nan 0.000 0.562 25 G N -0.308 108.163 108.800 -0.549 0.000 2.566 25 G HA2 -0.132 3.824 3.960 -0.006 0.000 0.599 25 G HA3 -0.132 3.824 3.960 -0.006 0.000 0.599 25 G C -1.435 172.877 174.900 -0.980 0.000 1.292 25 G CA -1.144 43.604 45.100 -0.587 0.000 0.922 25 G HN 0.071 nan 8.290 nan 0.000 0.514 26 W N -0.058 120.779 121.300 -0.773 0.000 2.715 26 W HA 0.627 5.284 4.660 -0.006 0.000 0.331 26 W C -1.106 174.906 176.519 -0.844 0.000 1.031 26 W CA -0.733 56.173 57.345 -0.731 0.000 1.237 26 W CB 1.858 30.758 29.460 -0.935 0.000 1.378 26 W HN 0.570 nan 8.180 nan 0.000 0.454 27 Y N 0.785 121.252 120.300 0.277 0.000 2.605 27 Y HA 0.696 5.243 4.550 -0.006 0.000 0.343 27 Y C -0.059 175.999 175.900 0.264 0.000 1.036 27 Y CA -1.367 56.888 58.100 0.259 0.000 1.065 27 Y CB 1.890 40.471 38.460 0.200 0.000 1.288 27 Y HN 0.351 nan 8.280 nan 0.000 0.481 28 A N 2.692 125.700 122.820 0.314 0.000 2.353 28 A HA 0.757 5.073 4.320 -0.006 0.000 0.299 28 A C -2.969 174.675 177.584 0.101 0.000 1.089 28 A CA -1.919 50.188 52.037 0.117 0.000 0.736 28 A CB 0.973 19.996 19.000 0.040 0.000 1.195 28 A HN 0.365 nan 8.150 nan 0.000 0.447 29 P HA 0.372 nan 4.420 nan 0.000 0.275 29 P C 0.302 177.628 177.300 0.044 0.000 1.266 29 P CA -0.126 62.965 63.100 -0.016 0.000 0.793 29 P CB 0.568 32.262 31.700 -0.011 0.000 1.074 30 A N 0.198 123.031 122.820 0.022 0.000 2.520 30 A HA -0.073 4.244 4.320 -0.006 0.000 0.235 30 A C 0.994 178.587 177.584 0.015 0.000 1.065 30 A CA 0.128 52.207 52.037 0.071 0.000 0.764 30 A CB -0.855 18.164 19.000 0.031 0.000 1.002 30 A HN 0.665 nan 8.150 nan 0.000 0.502 31 Y N 1.987 122.257 120.300 -0.049 0.000 2.200 31 Y HA -0.036 4.510 4.550 -0.005 0.000 0.290 31 Y C 1.828 177.535 175.900 -0.321 0.000 1.137 31 Y CA 2.163 60.117 58.100 -0.245 0.000 1.163 31 Y CB -0.071 38.310 38.460 -0.133 0.000 0.988 31 Y HN 0.785 nan 8.280 nan 0.000 0.518 32 T N -2.425 112.124 114.554 -0.008 0.000 2.948 32 T HA 0.331 4.678 4.350 -0.006 0.000 0.285 32 T C -1.509 173.201 174.700 0.016 0.000 1.019 32 T CA -0.563 61.525 62.100 -0.020 0.000 1.013 32 T CB 1.744 70.710 68.868 0.162 0.000 1.117 32 T HN 0.135 nan 8.240 nan 0.000 0.533 33 Y N -0.009 120.232 120.300 -0.099 0.000 2.346 33 Y HA 0.576 5.122 4.550 -0.006 0.000 0.332 33 Y C 0.125 176.000 175.900 -0.042 0.000 0.985 33 Y CA -0.689 57.361 58.100 -0.084 0.000 1.112 33 Y CB 1.426 39.809 38.460 -0.128 0.000 1.170 33 Y HN 1.131 nan 8.280 nan 0.000 0.447 34 G N 5.132 113.577 108.800 -0.592 0.000 2.415 34 G HA2 0.516 4.472 3.960 -0.006 0.000 0.269 34 G HA3 0.516 4.472 3.960 -0.006 0.000 0.269 34 G C -1.665 173.038 174.900 -0.328 0.000 1.209 34 G CA -0.307 44.593 45.100 -0.333 0.000 0.835 34 G HN 0.695 nan 8.290 nan 0.000 0.534 35 I N 0.623 121.137 120.570 -0.094 0.000 2.752 35 I HA 0.613 4.780 4.170 -0.006 0.000 0.290 35 I C -0.248 175.861 176.117 -0.014 0.000 1.507 35 I CA -0.312 60.990 61.300 0.002 0.000 1.038 35 I CB 1.927 40.007 38.000 0.133 0.000 1.390 35 I HN 0.777 nan 8.210 nan 0.000 0.435 36 G N 7.193 115.981 108.800 -0.019 0.000 2.513 36 G HA2 0.724 4.681 3.960 -0.006 0.000 0.317 36 G HA3 0.724 4.681 3.960 -0.006 0.000 0.317 36 G C -1.777 172.962 174.900 -0.268 0.000 1.277 36 G CA -0.631 44.410 45.100 -0.099 0.000 0.955 36 G HN 0.597 nan 8.290 nan 0.000 0.484 37 L N 2.942 123.854 121.223 -0.518 0.000 2.404 37 L HA 0.451 4.787 4.340 -0.006 0.000 0.272 37 L C -0.968 175.571 176.870 -0.550 0.000 0.980 37 L CA -0.923 53.679 54.840 -0.397 0.000 0.836 37 L CB 2.122 44.050 42.059 -0.219 0.000 1.238 37 L HN 0.484 nan 8.230 nan 0.000 0.408 38 H N 2.920 122.040 119.070 0.083 0.000 2.887 38 H HA 0.734 5.286 4.556 -0.007 0.000 0.300 38 H C 0.092 175.480 175.328 0.099 0.000 1.038 38 H CA -0.578 55.528 56.048 0.097 0.000 1.352 38 H CB 2.030 31.831 29.762 0.066 0.000 1.473 38 H HN 0.835 nan 8.280 nan 0.000 0.503 39 G N 0.346 109.271 108.800 0.207 0.000 2.347 39 G HA2 0.368 4.325 3.960 -0.006 0.000 0.321 39 G HA3 0.368 4.325 3.960 -0.006 0.000 0.321 39 G C -0.214 174.809 174.900 0.206 0.000 1.412 39 G CA -0.280 44.921 45.100 0.168 0.000 0.990 39 G HN 0.892 nan 8.290 nan 0.000 0.637 40 A N -1.230 121.676 122.820 0.144 0.000 2.832 40 A HA 0.369 4.685 4.320 -0.006 0.000 0.280 40 A C 2.503 180.112 177.584 0.042 0.000 1.464 40 A CA 2.194 54.308 52.037 0.130 0.000 0.804 40 A CB -1.534 17.596 19.000 0.216 0.000 1.020 40 A HN 3.265 nan 8.150 nan 0.000 0.563 41 G N -3.779 105.017 108.800 -0.006 0.000 2.241 41 G HA2 -0.273 3.683 3.960 -0.006 0.000 0.244 41 G HA3 -0.273 3.683 3.960 -0.006 0.000 0.244 41 G C 0.026 174.807 174.900 -0.197 0.000 0.998 41 G CA 0.668 45.683 45.100 -0.141 0.000 0.621 41 G HN 1.496 nan 8.290 nan 0.000 0.519 42 Y N 0.845 121.183 120.300 0.063 0.000 2.323 42 Y HA 0.618 5.164 4.550 -0.007 0.000 0.331 42 Y C 0.121 176.062 175.900 0.067 0.000 1.092 42 Y CA -0.735 57.401 58.100 0.060 0.000 1.150 42 Y CB 1.744 40.223 38.460 0.031 0.000 1.200 42 Y HN 0.049 nan 8.280 nan 0.000 0.472 43 D N 2.437 122.981 120.400 0.240 0.000 2.472 43 D HA 0.362 4.998 4.640 -0.006 0.000 0.248 43 D C -1.591 174.801 176.300 0.154 0.000 1.271 43 D CA -0.163 53.965 54.000 0.213 0.000 0.888 43 D CB 0.464 41.403 40.800 0.231 0.000 1.337 43 D HN 0.331 nan 8.370 nan 0.000 0.526 44 V N -0.580 119.344 119.914 0.017 0.000 3.001 44 V HA 0.950 5.067 4.120 -0.006 0.000 0.314 44 V C -0.433 175.599 176.094 -0.103 0.000 1.099 44 V CA -0.534 61.779 62.300 0.022 0.000 0.989 44 V CB 2.071 34.005 31.823 0.185 0.000 1.040 44 V HN 0.227 nan 8.190 nan 0.000 0.434 45 T N 0.923 115.375 114.554 -0.169 0.000 2.956 45 T HA 0.884 5.231 4.350 -0.006 0.000 0.312 45 T C -0.194 174.422 174.700 -0.140 0.000 1.151 45 T CA 0.569 62.580 62.100 -0.149 0.000 1.024 45 T CB 1.100 69.883 68.868 -0.141 0.000 1.140 45 T HN 2.172 nan 8.240 nan 0.000 0.473 46 G N 3.239 112.005 108.800 -0.057 0.000 2.399 46 G HA2 0.442 4.398 3.960 -0.006 0.000 0.256 46 G HA3 0.442 4.398 3.960 -0.006 0.000 0.256 46 G C -1.875 173.050 174.900 0.042 0.000 1.236 46 G CA -0.137 44.961 45.100 -0.004 0.000 0.914 46 G HN 1.200 nan 8.290 nan 0.000 0.482 47 N N -1.858 116.923 118.700 0.136 0.000 2.494 47 N HA 0.736 5.473 4.740 -0.006 0.000 0.270 47 N C -1.159 174.482 175.510 0.218 0.000 1.285 47 N CA -0.120 53.015 53.050 0.142 0.000 0.812 47 N CB 2.451 41.002 38.487 0.106 0.000 1.557 47 N HN 0.757 nan 8.380 nan 0.000 0.487 48 T N -0.068 114.562 114.554 0.127 0.000 3.012 48 T HA 0.521 4.867 4.350 -0.006 0.000 0.330 48 T C -3.114 171.484 174.700 -0.170 0.000 1.321 48 T CA -1.189 60.897 62.100 -0.023 0.000 1.067 48 T CB 1.347 70.170 68.868 -0.075 0.000 1.235 48 T HN 0.462 nan 8.240 nan 0.000 0.479 49 P HA 0.315 nan 4.420 nan 0.000 0.268 49 P C -0.010 176.723 177.300 -0.945 0.000 1.204 49 P CA 0.223 62.934 63.100 -0.648 0.000 0.768 49 P CB -0.261 31.083 31.700 -0.594 0.000 0.842 50 F N 0.924 120.377 119.950 -0.829 0.000 3.097 50 F HA -0.275 4.248 4.527 -0.006 0.000 0.278 50 F C 1.301 176.779 175.800 -0.537 0.000 0.917 50 F CA 0.803 58.423 58.000 -0.634 0.000 0.962 50 F CB -2.505 36.161 39.000 -0.556 0.000 0.964 50 F HN 0.552 nan 8.300 nan 0.000 0.668 51 A N -2.282 120.344 122.820 -0.324 0.000 2.715 51 A HA -0.266 4.050 4.320 -0.006 0.000 0.301 51 A C 0.597 178.085 177.584 -0.160 0.000 1.515 51 A CA 1.025 52.910 52.037 -0.253 0.000 0.816 51 A CB -2.296 16.399 19.000 -0.508 0.000 1.004 51 A HN 0.560 nan 8.150 nan 0.000 0.483 52 Y N -1.640 118.597 120.300 -0.105 0.000 2.757 52 Y HA 0.142 4.688 4.550 -0.006 0.000 0.344 52 Y C -0.241 175.579 175.900 -0.132 0.000 1.263 52 Y CA -0.674 57.342 58.100 -0.139 0.000 1.493 52 Y CB -0.590 37.748 38.460 -0.205 0.000 1.342 52 Y HN 0.207 nan 8.280 nan 0.000 0.627 53 P HA -0.136 nan 4.420 nan 0.000 0.216 53 P C 0.423 177.688 177.300 -0.059 0.000 1.157 53 P CA 1.948 65.019 63.100 -0.047 0.000 0.880 53 P CB 0.045 31.701 31.700 -0.073 0.000 0.791 54 G N -0.321 108.460 108.800 -0.033 0.000 2.372 54 G HA2 0.414 4.371 3.960 -0.006 0.000 0.283 54 G HA3 0.414 4.371 3.960 -0.006 0.000 0.283 54 G C -0.928 173.961 174.900 -0.018 0.000 1.177 54 G CA -0.289 44.795 45.100 -0.026 0.000 0.842 54 G HN -0.032 nan 8.290 nan 0.000 0.503 55 L N 2.961 124.212 121.223 0.047 0.000 2.283 55 L HA 0.153 4.489 4.340 -0.006 0.000 0.287 55 L C 1.453 178.417 176.870 0.156 0.000 1.073 55 L CA 0.090 55.001 54.840 0.119 0.000 0.822 55 L CB 1.587 43.823 42.059 0.294 0.000 1.186 55 L HN 0.352 nan 8.230 nan 0.000 0.436 56 V N 3.619 123.420 119.914 -0.189 0.000 2.667 56 V HA -0.073 4.043 4.120 -0.006 0.000 0.252 56 V C 0.116 176.008 176.094 -0.338 0.000 1.065 56 V CA 1.121 63.190 62.300 -0.386 0.000 1.083 56 V CB -0.688 30.612 31.823 -0.872 0.000 0.692 56 V HN 0.477 nan 8.190 nan 0.000 0.468 57 F N -0.372 119.788 119.950 0.351 0.000 2.499 57 F HA 0.806 5.330 4.527 -0.006 0.000 0.333 57 F C 0.446 176.217 175.800 -0.049 0.000 1.138 57 F CA -0.358 57.732 58.000 0.150 0.000 0.945 57 F CB 1.479 40.541 39.000 0.104 0.000 1.181 57 F HN 0.034 nan 8.300 nan 0.000 0.435 58 G N 1.706 110.273 108.800 -0.388 0.000 2.336 58 G HA2 0.493 4.449 3.960 -0.006 0.000 0.286 58 G HA3 0.493 4.449 3.960 -0.006 0.000 0.286 58 G C -2.118 172.120 174.900 -1.104 0.000 1.269 58 G CA -0.586 44.225 45.100 -0.481 0.000 0.873 58 G HN 1.014 nan 8.290 nan 0.000 0.494 59 H N -2.003 116.573 119.070 -0.824 0.000 2.990 59 H HA 0.695 5.248 4.556 -0.005 0.000 0.336 59 H C -0.159 175.081 175.328 -0.147 0.000 1.306 59 H CA -0.326 55.274 56.048 -0.747 0.000 1.118 59 H CB 1.399 30.928 29.762 -0.389 0.000 1.856 59 H HN 0.593 nan 8.280 nan 0.000 0.538 60 N N -0.141 118.648 118.700 0.149 0.000 2.238 60 N HA 0.232 4.969 4.740 -0.006 0.000 0.235 60 N C 1.111 176.787 175.510 0.277 0.000 1.209 60 N CA 0.018 53.209 53.050 0.234 0.000 0.879 60 N CB 0.932 39.673 38.487 0.424 0.000 1.136 60 N HN 1.264 nan 8.380 nan 0.000 0.517 61 G N -0.891 108.196 108.800 0.478 0.000 2.225 61 G HA2 -0.321 3.635 3.960 -0.006 0.000 0.254 61 G HA3 -0.321 3.635 3.960 -0.006 0.000 0.254 61 G C 0.549 175.693 174.900 0.408 0.000 0.988 61 G CA 0.613 45.975 45.100 0.436 0.000 0.625 61 G HN 0.300 nan 8.290 nan 0.000 0.527 62 V N 0.633 120.752 119.914 0.341 0.000 3.058 62 V HA 0.454 4.570 4.120 -0.006 0.000 0.233 62 V C 1.215 177.257 176.094 -0.086 0.000 1.255 62 V CA 1.444 63.831 62.300 0.145 0.000 1.267 62 V CB 0.226 32.121 31.823 0.119 0.000 1.049 62 V HN 0.769 nan 8.190 nan 0.000 0.486 63 I N -0.840 119.784 120.570 0.090 0.000 3.023 63 I HA 0.885 5.052 4.170 -0.006 0.000 0.312 63 I C -0.420 175.827 176.117 0.217 0.000 1.056 63 I CA -0.455 60.792 61.300 -0.088 0.000 1.033 63 I CB 2.372 40.297 38.000 -0.126 0.000 1.233 63 I HN 0.165 nan 8.210 nan 0.000 0.462 64 S N 1.282 117.004 115.700 0.038 0.000 2.588 64 S HA 0.812 5.279 4.470 -0.006 0.000 0.275 64 S C -1.464 173.113 174.600 -0.037 0.000 1.130 64 S CA -0.646 57.503 58.200 -0.084 0.000 0.855 64 S CB 1.305 64.489 63.200 -0.027 0.000 1.116 64 S HN 1.041 nan 8.310 nan 0.000 0.472 65 W N 0.085 121.433 121.300 0.079 0.000 3.062 65 W HA 0.943 5.599 4.660 -0.006 0.000 0.336 65 W C -0.294 176.369 176.519 0.240 0.000 1.224 65 W CA -0.654 56.769 57.345 0.130 0.000 1.159 65 W CB 0.840 30.399 29.460 0.166 0.000 1.454 65 W HN 1.141 nan 8.180 nan 0.000 0.569 66 G N -0.011 109.136 108.800 0.578 0.000 2.550 66 G HA2 0.576 4.532 3.960 -0.006 0.000 0.293 66 G HA3 0.576 4.532 3.960 -0.006 0.000 0.293 66 G C -1.885 173.466 174.900 0.751 0.000 1.402 66 G CA -0.873 44.595 45.100 0.613 0.000 0.784 66 G HN 0.650 nan 8.290 nan 0.000 0.482 67 S N -1.402 114.781 115.700 0.806 0.000 2.618 67 S HA 0.915 5.382 4.470 -0.006 0.000 0.277 67 S C -0.519 174.530 174.600 0.749 0.000 1.138 67 S CA -0.030 58.680 58.200 0.851 0.000 0.844 67 S CB 2.041 65.731 63.200 0.816 0.000 1.127 67 S HN 1.515 nan 8.310 nan 0.000 0.474 68 T N -0.992 114.002 114.554 0.735 0.000 2.900 68 T HA 0.802 5.148 4.350 -0.006 0.000 0.303 68 T C -0.427 174.560 174.700 0.479 0.000 1.142 68 T CA -0.736 61.677 62.100 0.523 0.000 1.007 68 T CB 1.286 70.457 68.868 0.505 0.000 1.156 68 T HN 0.832 nan 8.240 nan 0.000 0.490 69 A N 0.801 123.845 122.820 0.374 0.000 2.540 69 A HA 0.548 4.865 4.320 -0.006 0.000 0.239 69 A C 1.489 179.271 177.584 0.329 0.000 1.061 69 A CA 0.203 52.379 52.037 0.231 0.000 0.758 69 A CB -0.452 18.611 19.000 0.105 0.000 0.991 69 A HN 1.333 nan 8.150 nan 0.000 0.502 70 G N 0.613 109.537 108.800 0.207 0.000 2.411 70 G HA2 0.225 4.182 3.960 -0.006 0.000 0.213 70 G HA3 0.225 4.182 3.960 -0.006 0.000 0.213 70 G C 0.398 175.698 174.900 0.667 0.000 1.166 70 G CA 0.416 45.789 45.100 0.457 0.000 0.802 70 G HN 0.899 nan 8.290 nan 0.000 0.533 71 F N 0.264 120.410 119.950 0.327 0.000 3.067 71 F HA -0.165 4.359 4.527 -0.006 0.000 0.279 71 F C 1.475 177.405 175.800 0.217 0.000 0.945 71 F CA -0.090 57.951 58.000 0.069 0.000 0.948 71 F CB -1.608 37.133 39.000 -0.431 0.000 0.898 71 F HN 0.325 nan 8.300 nan 0.000 0.746 72 G N -0.161 108.961 108.800 0.537 0.000 2.580 72 G HA2 0.387 4.343 3.960 -0.006 0.000 0.278 72 G HA3 0.387 4.343 3.960 -0.006 0.000 0.278 72 G C -0.778 174.307 174.900 0.308 0.000 1.212 72 G CA -0.317 45.111 45.100 0.547 0.000 0.939 72 G HN 0.201 nan 8.290 nan 0.000 0.513 73 D N -0.149 120.356 120.400 0.175 0.000 2.411 73 D HA 0.203 4.840 4.640 -0.006 0.000 0.225 73 D C -0.058 176.372 176.300 0.217 0.000 1.156 73 D CA -0.633 53.441 54.000 0.122 0.000 0.874 73 D CB 1.045 41.850 40.800 0.008 0.000 1.034 73 D HN 0.312 nan 8.370 nan 0.000 0.502 74 D N 2.091 122.625 120.400 0.224 0.000 2.535 74 D HA 0.093 4.730 4.640 -0.006 0.000 0.229 74 D C -0.472 175.908 176.300 0.133 0.000 1.238 74 D CA -0.299 53.793 54.000 0.154 0.000 0.824 74 D CB 0.060 40.935 40.800 0.125 0.000 1.045 74 D HN 0.063 nan 8.370 nan 0.000 0.500 75 V N 0.958 120.975 119.914 0.171 0.000 2.525 75 V HA 0.394 4.510 4.120 -0.006 0.000 0.299 75 V C -1.069 175.172 176.094 0.246 0.000 1.034 75 V CA -0.701 61.723 62.300 0.208 0.000 0.863 75 V CB 2.144 34.060 31.823 0.156 0.000 0.999 75 V HN 0.019 nan 8.190 nan 0.000 0.423 76 D N 3.832 124.461 120.400 0.382 0.000 2.419 76 D HA 0.583 5.219 4.640 -0.006 0.000 0.234 76 D C -0.809 175.598 176.300 0.178 0.000 1.014 76 D CA -0.415 53.757 54.000 0.286 0.000 0.919 76 D CB 2.600 43.642 40.800 0.403 0.000 1.366 76 D HN 0.166 nan 8.370 nan 0.000 0.490 77 I N 1.061 121.647 120.570 0.028 0.000 2.404 77 I HA 0.349 4.515 4.170 -0.006 0.000 0.293 77 I C -0.584 175.480 176.117 -0.088 0.000 0.992 77 I CA -0.513 60.813 61.300 0.045 0.000 1.149 77 I CB 0.574 38.599 38.000 0.042 0.000 1.315 77 I HN 0.167 nan 8.210 nan 0.000 0.446 78 F N 3.938 123.841 119.950 -0.078 0.000 2.426 78 F HA 0.550 5.073 4.527 -0.006 0.000 0.348 78 F C 0.660 176.375 175.800 -0.142 0.000 1.124 78 F CA -0.774 57.086 58.000 -0.232 0.000 1.008 78 F CB 1.757 40.362 39.000 -0.659 0.000 1.139 78 F HN 0.507 nan 8.300 nan 0.000 0.452 79 A N 3.945 126.760 122.820 -0.009 0.000 2.376 79 A HA 0.403 4.719 4.320 -0.006 0.000 0.298 79 A C -0.063 177.447 177.584 -0.124 0.000 1.271 79 A CA -0.584 51.361 52.037 -0.153 0.000 0.926 79 A CB -0.276 18.650 19.000 -0.123 0.000 1.141 79 A HN 0.574 nan 8.150 nan 0.000 0.539 80 E N 1.689 121.793 120.200 -0.159 0.000 2.259 80 E HA 0.158 4.505 4.350 -0.006 0.000 0.281 80 E C -0.125 176.453 176.600 -0.037 0.000 1.027 80 E CA -0.528 55.836 56.400 -0.060 0.000 0.838 80 E CB 1.333 30.975 29.700 -0.097 0.000 1.066 80 E HN 0.598 nan 8.360 nan 0.000 0.401 81 R N 3.677 124.203 120.500 0.043 0.000 2.309 81 R HA 0.181 4.517 4.340 -0.006 0.000 0.331 81 R C -0.213 176.204 176.300 0.195 0.000 1.116 81 R CA -0.012 56.131 56.100 0.071 0.000 0.970 81 R CB -0.353 29.964 30.300 0.027 0.000 1.024 81 R HN 0.403 nan 8.270 nan 0.000 0.472 82 L N 1.406 122.747 121.223 0.196 0.000 2.448 82 L HA 0.468 4.804 4.340 -0.006 0.000 0.258 82 L C 0.317 177.392 176.870 0.342 0.000 1.104 82 L CA -0.834 54.176 54.840 0.284 0.000 0.800 82 L CB 1.437 43.560 42.059 0.107 0.000 1.241 82 L HN 0.479 nan 8.230 nan 0.000 0.472 83 S N -1.187 114.632 115.700 0.198 0.000 2.594 83 S HA 0.533 5.000 4.470 -0.006 0.000 0.296 83 S C 0.511 175.058 174.600 -0.088 0.000 1.124 83 S CA -0.161 58.012 58.200 -0.044 0.000 1.011 83 S CB 1.763 64.603 63.200 -0.600 0.000 1.016 83 S HN 0.662 nan 8.310 nan 0.000 0.485 84 A N 3.919 126.697 122.820 -0.070 0.000 1.978 84 A HA 0.021 4.337 4.320 -0.006 0.000 0.220 84 A C 0.491 178.020 177.584 -0.092 0.000 1.170 84 A CA 1.190 53.190 52.037 -0.063 0.000 0.636 84 A CB -0.448 18.526 19.000 -0.042 0.000 0.810 84 A HN 0.846 nan 8.150 nan 0.000 0.448 85 E N -0.531 119.580 120.200 -0.149 0.000 2.179 85 E HA 0.490 4.837 4.350 -0.006 0.000 0.275 85 E C -0.380 176.060 176.600 -0.267 0.000 0.945 85 E CA -0.563 55.732 56.400 -0.175 0.000 0.792 85 E CB 1.011 30.602 29.700 -0.182 0.000 1.125 85 E HN 0.348 nan 8.360 nan 0.000 0.397 86 K N 0.168 120.432 120.400 -0.227 0.000 3.244 86 K HA -0.089 4.228 4.320 -0.006 0.000 0.269 86 K C -2.622 173.939 176.600 -0.065 0.000 1.150 86 K CA -0.082 56.032 56.287 -0.288 0.000 0.799 86 K CB -1.758 30.376 32.500 -0.610 0.000 1.286 86 K HN 0.418 nan 8.250 nan 0.000 0.488 87 P HA 0.237 nan 4.420 nan 0.000 0.279 87 P C 0.992 178.382 177.300 0.150 0.000 1.239 87 P CA 1.449 64.581 63.100 0.052 0.000 0.789 87 P CB 1.291 32.986 31.700 -0.009 0.000 0.933 88 G N 0.381 109.190 108.800 0.015 0.000 2.157 88 G HA2 -0.221 3.735 3.960 -0.006 0.000 0.239 88 G HA3 -0.221 3.735 3.960 -0.006 0.000 0.239 88 G C -0.493 174.434 174.900 0.044 0.000 0.982 88 G CA -0.188 44.911 45.100 -0.001 0.000 0.650 88 G HN 0.471 nan 8.290 nan 0.000 0.527 89 Y N -0.525 119.872 120.300 0.162 0.000 2.598 89 Y HA 0.732 5.279 4.550 -0.006 0.000 0.340 89 Y C 0.203 176.390 175.900 0.479 0.000 1.038 89 Y CA -0.989 57.282 58.100 0.284 0.000 1.100 89 Y CB 1.739 40.350 38.460 0.253 0.000 1.281 89 Y HN 0.474 nan 8.280 nan 0.000 0.488 90 Y N -0.426 120.158 120.300 0.475 0.000 2.581 90 Y HA 0.623 5.169 4.550 -0.006 0.000 0.337 90 Y C -2.008 173.894 175.900 0.003 0.000 1.108 90 Y CA -1.735 56.535 58.100 0.284 0.000 1.033 90 Y CB 0.598 39.126 38.460 0.113 0.000 1.318 90 Y HN 0.454 nan 8.280 nan 0.000 0.459 91 L N 4.575 125.581 121.223 -0.361 0.000 2.360 91 L HA 0.369 4.706 4.340 -0.006 0.000 0.276 91 L C -0.699 176.078 176.870 -0.156 0.000 1.121 91 L CA 0.450 54.886 54.840 -0.674 0.000 0.845 91 L CB -0.293 41.233 42.059 -0.888 0.000 1.143 91 L HN 0.905 nan 8.230 nan 0.000 0.452 92 H N 5.252 124.146 119.070 -0.292 0.000 2.966 92 H HA 0.209 4.762 4.556 -0.006 0.000 0.347 92 H C -0.202 175.043 175.328 -0.139 0.000 1.048 92 H CA -0.526 55.455 56.048 -0.111 0.000 1.295 92 H CB 0.815 30.562 29.762 -0.025 0.000 1.744 92 H HN 0.805 nan 8.280 nan 0.000 0.513 93 N N 3.248 121.686 118.700 -0.437 0.000 2.699 93 N HA -0.249 4.487 4.740 -0.006 0.000 0.256 93 N C 0.894 176.261 175.510 -0.237 0.000 0.993 93 N CA 0.801 53.622 53.050 -0.381 0.000 0.759 93 N CB -0.721 37.448 38.487 -0.531 0.000 0.906 93 N HN 1.027 nan 8.380 nan 0.000 0.541 94 G N -0.607 108.069 108.800 -0.206 0.000 2.162 94 G HA2 -0.359 3.598 3.960 -0.006 0.000 0.260 94 G HA3 -0.359 3.598 3.960 -0.006 0.000 0.260 94 G C -0.124 174.673 174.900 -0.172 0.000 0.976 94 G CA 1.142 46.140 45.100 -0.171 0.000 0.655 94 G HN 0.644 nan 8.290 nan 0.000 0.533 95 K N -1.664 118.610 120.400 -0.210 0.000 2.480 95 K HA 0.593 4.909 4.320 -0.006 0.000 0.258 95 K C -1.164 175.296 176.600 -0.232 0.000 0.990 95 K CA -1.352 54.850 56.287 -0.141 0.000 0.857 95 K CB 1.306 33.774 32.500 -0.053 0.000 1.384 95 K HN 0.032 nan 8.250 nan 0.000 0.446 96 W N 1.792 123.078 121.300 -0.022 0.000 2.367 96 W HA 0.316 4.973 4.660 -0.006 0.000 0.329 96 W C -0.464 176.111 176.519 0.093 0.000 1.066 96 W CA -0.505 56.851 57.345 0.018 0.000 1.435 96 W CB 0.925 30.385 29.460 0.000 0.000 1.296 96 W HN 0.130 nan 8.180 nan 0.000 0.401 97 V N 4.542 124.417 119.914 -0.066 0.000 2.607 97 V HA 0.190 4.307 4.120 -0.006 0.000 0.289 97 V C 0.626 176.510 176.094 -0.350 0.000 1.053 97 V CA -1.214 60.922 62.300 -0.272 0.000 0.996 97 V CB 1.119 32.562 31.823 -0.633 0.000 0.995 97 V HN 0.254 nan 8.190 nan 0.000 0.476 98 K N 3.564 123.750 120.400 -0.356 0.000 2.218 98 K HA 0.442 4.758 4.320 -0.006 0.000 0.276 98 K C -0.292 176.275 176.600 -0.054 0.000 1.022 98 K CA -0.435 55.513 56.287 -0.565 0.000 0.946 98 K CB 0.886 33.053 32.500 -0.554 0.000 1.000 98 K HN 0.595 nan 8.250 nan 0.000 0.468 99 M N 3.652 123.312 119.600 0.099 0.000 2.242 99 M HA 0.171 4.647 4.480 -0.006 0.000 0.344 99 M C 0.045 176.439 176.300 0.157 0.000 1.140 99 M CA -0.334 55.135 55.300 0.281 0.000 1.160 99 M CB 0.669 33.557 32.600 0.481 0.000 1.491 99 M HN 0.360 nan 8.290 nan 0.000 0.459 100 L N 1.939 123.216 121.223 0.090 0.000 2.439 100 L HA 0.314 4.650 4.340 -0.006 0.000 0.269 100 L C 0.222 177.031 176.870 -0.102 0.000 1.179 100 L CA -0.150 54.680 54.840 -0.016 0.000 0.828 100 L CB 0.616 42.653 42.059 -0.036 0.000 1.106 100 L HN 0.803 nan 8.230 nan 0.000 0.467 101 S N 2.369 117.908 115.700 -0.268 0.000 2.550 101 S HA 0.777 5.244 4.470 -0.006 0.000 0.270 101 S C -0.994 173.355 174.600 -0.419 0.000 1.145 101 S CA -1.115 56.744 58.200 -0.568 0.000 0.852 101 S CB 2.576 65.089 63.200 -1.145 0.000 1.119 101 S HN 0.808 nan 8.310 nan 0.000 0.465 102 R N 0.887 121.127 120.500 -0.433 0.000 2.740 102 R HA 0.645 4.982 4.340 -0.006 0.000 0.273 102 R C -1.520 174.563 176.300 -0.362 0.000 0.998 102 R CA -0.786 55.126 56.100 -0.314 0.000 0.900 102 R CB 1.602 31.762 30.300 -0.234 0.000 1.223 102 R HN 0.691 nan 8.270 nan 0.000 0.466 103 E N 1.276 121.297 120.200 -0.299 0.000 2.179 103 E HA 0.231 4.578 4.350 -0.006 0.000 0.275 103 E C -0.932 175.458 176.600 -0.350 0.000 0.945 103 E CA -0.762 55.447 56.400 -0.318 0.000 0.792 103 E CB 1.758 31.328 29.700 -0.215 0.000 1.125 103 E HN 0.408 nan 8.360 nan 0.000 0.397 104 E N 1.350 121.240 120.200 -0.516 0.000 2.288 104 E HA 0.393 4.740 4.350 -0.006 0.000 0.268 104 E C -1.114 175.313 176.600 -0.288 0.000 0.885 104 E CA -0.638 55.473 56.400 -0.481 0.000 0.767 104 E CB 2.358 31.573 29.700 -0.808 0.000 1.220 104 E HN 0.313 nan 8.360 nan 0.000 0.427 105 T N 2.362 116.844 114.554 -0.121 0.000 2.812 105 T HA 0.424 4.771 4.350 -0.006 0.000 0.282 105 T C -0.083 174.638 174.700 0.034 0.000 0.990 105 T CA -0.626 61.461 62.100 -0.022 0.000 0.960 105 T CB 0.659 69.512 68.868 -0.026 0.000 0.948 105 T HN 0.175 nan 8.240 nan 0.000 0.438 106 I N 3.608 124.235 120.570 0.096 0.000 2.304 106 I HA 0.268 4.434 4.170 -0.006 0.000 0.291 106 I C 0.949 177.097 176.117 0.050 0.000 1.018 106 I CA -0.519 60.837 61.300 0.093 0.000 1.260 106 I CB 0.477 38.554 38.000 0.127 0.000 1.390 106 I HN 0.549 nan 8.210 nan 0.000 0.475 107 T N 5.981 120.552 114.554 0.028 0.000 2.910 107 T HA 0.486 4.833 4.350 -0.006 0.000 0.293 107 T C 0.171 174.881 174.700 0.017 0.000 1.015 107 T CA -0.257 61.854 62.100 0.017 0.000 1.094 107 T CB 1.461 70.333 68.868 0.007 0.000 0.968 107 T HN 0.291 nan 8.240 nan 0.000 0.521 108 V N 3.742 123.665 119.914 0.015 0.000 2.443 108 V HA 0.355 4.471 4.120 -0.006 0.000 0.293 108 V C 0.026 176.125 176.094 0.009 0.000 1.021 108 V CA -1.237 61.071 62.300 0.012 0.000 0.848 108 V CB 1.593 33.425 31.823 0.015 0.000 0.998 108 V HN 0.773 nan 8.190 nan 0.000 0.424 109 K N 4.441 124.844 120.400 0.006 0.000 2.484 109 K HA 0.056 4.373 4.320 -0.006 0.000 0.280 109 K C 0.539 177.144 176.600 0.008 0.000 1.013 109 K CA 1.021 57.311 56.287 0.006 0.000 1.029 109 K CB -0.637 31.866 32.500 0.005 0.000 0.902 109 K HN 0.728 nan 8.250 nan 0.000 0.481 110 N N 1.492 120.196 118.700 0.008 0.000 2.721 110 N HA -0.224 4.512 4.740 -0.006 0.000 0.249 110 N C -0.335 175.180 175.510 0.009 0.000 1.072 110 N CA 0.736 53.791 53.050 0.008 0.000 0.710 110 N CB -0.923 37.569 38.487 0.008 0.000 0.993 110 N HN 0.810 nan 8.380 nan 0.000 0.547 111 G N -0.753 108.053 108.800 0.010 0.000 2.749 111 G HA2 0.517 4.473 3.960 -0.006 0.000 0.300 111 G HA3 0.517 4.473 3.960 -0.006 0.000 0.300 111 G C -1.626 173.282 174.900 0.013 0.000 1.352 111 G CA -0.648 44.459 45.100 0.012 0.000 0.789 111 G HN 0.105 nan 8.290 nan 0.000 0.509 112 Q N -0.424 119.385 119.800 0.015 0.000 2.259 112 Q HA 0.615 4.952 4.340 -0.006 0.000 0.246 112 Q C 0.296 176.310 176.000 0.022 0.000 0.920 112 Q CA -0.484 55.329 55.803 0.017 0.000 0.895 112 Q CB 1.442 30.191 28.738 0.018 0.000 1.220 112 Q HN 0.793 nan 8.270 nan 0.000 0.439 113 A N 3.276 126.110 122.820 0.023 0.000 2.371 113 A HA 0.275 4.591 4.320 -0.006 0.000 0.257 113 A C -0.639 176.971 177.584 0.044 0.000 1.089 113 A CA -0.129 51.926 52.037 0.030 0.000 0.794 113 A CB 0.525 19.539 19.000 0.023 0.000 1.029 113 A HN 0.797 nan 8.150 nan 0.000 0.488 114 E N 0.031 120.270 120.200 0.065 0.000 2.222 114 E HA 0.515 4.862 4.350 -0.006 0.000 0.267 114 E C -0.746 175.941 176.600 0.144 0.000 0.884 114 E CA -0.521 55.937 56.400 0.096 0.000 0.764 114 E CB 2.089 31.849 29.700 0.099 0.000 1.169 114 E HN 0.745 nan 8.360 nan 0.000 0.413 115 T N 0.632 115.269 114.554 0.140 0.000 2.876 115 T HA 0.736 5.083 4.350 -0.006 0.000 0.289 115 T C -0.872 173.948 174.700 0.201 0.000 1.014 115 T CA -0.699 61.473 62.100 0.119 0.000 0.986 115 T CB 0.590 69.464 68.868 0.011 0.000 1.021 115 T HN 0.422 nan 8.240 nan 0.000 0.458 116 F N -0.571 119.381 119.950 0.004 0.000 2.662 116 F HA 0.813 5.336 4.527 -0.006 0.000 0.312 116 F C -1.025 174.768 175.800 -0.012 0.000 1.113 116 F CA -1.029 56.982 58.000 0.019 0.000 0.951 116 F CB 1.127 40.147 39.000 0.033 0.000 1.344 116 F HN 0.566 nan 8.300 nan 0.000 0.462 117 T N 1.894 116.450 114.554 0.004 0.000 2.855 117 T HA 0.672 5.018 4.350 -0.006 0.000 0.281 117 T C -0.937 173.708 174.700 -0.091 0.000 1.007 117 T CA -0.628 61.343 62.100 -0.214 0.000 1.009 117 T CB 1.846 70.615 68.868 -0.165 0.000 0.983 117 T HN 0.580 nan 8.240 nan 0.000 0.455 118 V N 2.565 122.314 119.914 -0.274 0.000 2.459 118 V HA 0.520 4.637 4.120 -0.006 0.000 0.295 118 V C -1.024 174.895 176.094 -0.291 0.000 1.029 118 V CA -0.970 61.286 62.300 -0.074 0.000 0.874 118 V CB 1.271 33.083 31.823 -0.019 0.000 0.985 118 V HN 0.841 nan 8.190 nan 0.000 0.438 119 W N 3.527 124.843 121.300 0.026 0.000 2.627 119 W HA 0.831 5.488 4.660 -0.005 0.000 0.339 119 W C 0.141 176.643 176.519 -0.029 0.000 1.058 119 W CA -0.590 56.753 57.345 -0.004 0.000 1.223 119 W CB 1.507 30.969 29.460 0.004 0.000 1.389 119 W HN 0.416 nan 8.180 nan 0.000 0.541 120 R N 1.113 121.721 120.500 0.180 0.000 2.626 120 R HA 0.603 4.939 4.340 -0.006 0.000 0.274 120 R C -0.490 175.795 176.300 -0.024 0.000 1.031 120 R CA -0.350 55.774 56.100 0.040 0.000 0.898 120 R CB 1.767 32.062 30.300 -0.009 0.000 1.222 120 R HN 0.619 nan 8.270 nan 0.000 0.455 121 T N -1.244 113.215 114.554 -0.159 0.000 2.762 121 T HA 0.192 4.538 4.350 -0.006 0.000 0.272 121 T C 0.824 175.358 174.700 -0.278 0.000 0.982 121 T CA -0.478 61.420 62.100 -0.337 0.000 1.013 121 T CB 1.068 69.449 68.868 -0.811 0.000 1.309 121 T HN 0.255 nan 8.240 nan 0.000 0.572 122 V N 0.534 120.238 119.914 -0.351 0.000 2.720 122 V HA -0.127 3.989 4.120 -0.006 0.000 0.256 122 V C 1.990 177.715 176.094 -0.616 0.000 1.082 122 V CA 1.982 64.010 62.300 -0.453 0.000 1.101 122 V CB -1.327 30.151 31.823 -0.574 0.000 0.693 122 V HN 0.935 nan 8.190 nan 0.000 0.479 123 H N -0.544 118.251 119.070 -0.460 0.000 2.497 123 H HA 0.502 5.055 4.556 -0.006 0.000 0.282 123 H C 0.942 176.060 175.328 -0.350 0.000 1.003 123 H CA 0.598 56.312 56.048 -0.557 0.000 1.307 123 H CB 0.459 29.779 29.762 -0.737 0.000 1.437 123 H HN 0.611 nan 8.280 nan 0.000 0.544 124 G N -0.499 108.206 108.800 -0.158 0.000 2.350 124 G HA2 -0.116 3.840 3.960 -0.006 0.000 0.282 124 G HA3 -0.116 3.840 3.960 -0.006 0.000 0.282 124 G C -1.548 173.319 174.900 -0.054 0.000 1.314 124 G CA -1.121 43.915 45.100 -0.106 0.000 0.915 124 G HN 0.075 nan 8.290 nan 0.000 0.499 125 N N 0.063 118.754 118.700 -0.015 0.000 2.416 125 N HA 0.349 5.085 4.740 -0.006 0.000 0.246 125 N C 0.471 176.017 175.510 0.060 0.000 1.260 125 N CA -0.220 52.851 53.050 0.035 0.000 0.897 125 N CB 0.438 38.958 38.487 0.056 0.000 1.110 125 N HN 0.415 nan 8.380 nan 0.000 0.439 126 I N 2.842 123.475 120.570 0.104 0.000 2.337 126 I HA 0.026 4.192 4.170 -0.006 0.000 0.291 126 I C 1.527 177.724 176.117 0.134 0.000 1.046 126 I CA -0.031 61.335 61.300 0.110 0.000 1.324 126 I CB 0.317 38.390 38.000 0.122 0.000 1.409 126 I HN 0.500 nan 8.210 nan 0.000 0.494 127 L N 5.868 127.173 121.223 0.136 0.000 2.023 127 L HA -0.098 4.239 4.340 -0.006 0.000 0.205 127 L C 0.844 177.796 176.870 0.138 0.000 1.073 127 L CA 1.294 56.213 54.840 0.131 0.000 0.745 127 L CB 0.073 42.206 42.059 0.125 0.000 0.900 127 L HN 0.716 nan 8.230 nan 0.000 0.435 128 Q N -1.887 118.020 119.800 0.178 0.000 2.522 128 Q HA 0.477 4.813 4.340 -0.006 0.000 0.285 128 Q C -1.101 175.021 176.000 0.204 0.000 0.982 128 Q CA -0.868 55.042 55.803 0.177 0.000 0.805 128 Q CB 1.702 30.539 28.738 0.166 0.000 1.457 128 Q HN 0.014 nan 8.270 nan 0.000 0.394 129 T N -1.831 112.799 114.554 0.125 0.000 2.893 129 T HA 0.463 4.810 4.350 -0.006 0.000 0.293 129 T C -1.219 173.521 174.700 0.067 0.000 1.027 129 T CA -0.698 61.434 62.100 0.053 0.000 0.988 129 T CB 1.728 70.581 68.868 -0.025 0.000 1.043 129 T HN 0.580 nan 8.240 nan 0.000 0.461 130 D N 1.656 122.078 120.400 0.036 0.000 2.473 130 D HA 0.281 4.918 4.640 -0.006 0.000 0.226 130 D C 1.051 177.358 176.300 0.012 0.000 1.089 130 D CA -0.436 53.594 54.000 0.051 0.000 0.883 130 D CB 1.465 42.319 40.800 0.089 0.000 1.029 130 D HN 0.627 nan 8.370 nan 0.000 0.517 131 Q N 0.914 120.722 119.800 0.014 0.000 2.224 131 Q HA -0.112 4.224 4.340 -0.006 0.000 0.203 131 Q C 1.989 177.994 176.000 0.009 0.000 0.970 131 Q CA 1.728 57.533 55.803 0.003 0.000 0.865 131 Q CB 0.072 28.812 28.738 0.004 0.000 0.922 131 Q HN 0.673 nan 8.270 nan 0.000 0.445 132 T N -1.533 113.032 114.554 0.019 0.000 2.708 132 T HA -0.180 4.167 4.350 -0.006 0.000 0.266 132 T C 2.038 176.750 174.700 0.019 0.000 1.037 132 T CA 1.735 63.847 62.100 0.021 0.000 1.146 132 T CB -0.694 68.190 68.868 0.027 0.000 0.865 132 T HN 0.417 nan 8.240 nan 0.000 0.435 133 T N -1.860 112.705 114.554 0.019 0.000 3.065 133 T HA 0.150 4.496 4.350 -0.006 0.000 0.252 133 T C 0.597 175.302 174.700 0.008 0.000 1.099 133 T CA 0.157 62.266 62.100 0.014 0.000 1.063 133 T CB -0.293 68.583 68.868 0.014 0.000 0.948 133 T HN 0.402 nan 8.240 nan 0.000 0.506 134 Q N 1.041 120.842 119.800 0.001 0.000 2.470 134 Q HA -0.109 4.227 4.340 -0.006 0.000 0.294 134 Q C -0.783 175.206 176.000 -0.020 0.000 1.356 134 Q CA 0.813 56.618 55.803 0.003 0.000 0.805 134 Q CB -2.718 26.042 28.738 0.036 0.000 1.157 134 Q HN 0.656 nan 8.270 nan 0.000 0.431 135 T N -0.253 114.253 114.554 -0.080 0.000 2.887 135 T HA 0.822 5.169 4.350 -0.006 0.000 0.288 135 T C -0.401 174.147 174.700 -0.253 0.000 1.021 135 T CA 0.009 61.993 62.100 -0.194 0.000 1.000 135 T CB 2.052 70.752 68.868 -0.279 0.000 1.034 135 T HN 0.389 nan 8.240 nan 0.000 0.467 136 A N 2.067 124.705 122.820 -0.303 0.000 2.393 136 A HA 0.765 5.082 4.320 -0.006 0.000 0.306 136 A C -1.729 175.656 177.584 -0.331 0.000 1.050 136 A CA -0.702 51.192 52.037 -0.237 0.000 0.724 136 A CB 0.857 19.773 19.000 -0.141 0.000 1.248 136 A HN 0.779 nan 8.150 nan 0.000 0.424 137 Y N 0.834 121.135 120.300 0.001 0.000 2.320 137 Y HA 0.556 5.103 4.550 -0.006 0.000 0.334 137 Y C 0.697 176.603 175.900 0.010 0.000 1.055 137 Y CA 0.036 58.140 58.100 0.006 0.000 1.143 137 Y CB 1.893 40.363 38.460 0.016 0.000 1.193 137 Y HN 0.831 nan 8.280 nan 0.000 0.477 138 A N 4.049 126.958 122.820 0.149 0.000 2.331 138 A HA 0.524 4.840 4.320 -0.006 0.000 0.320 138 A C -0.694 176.964 177.584 0.123 0.000 1.138 138 A CA -1.063 51.029 52.037 0.092 0.000 0.790 138 A CB 0.739 19.746 19.000 0.012 0.000 1.206 138 A HN 0.732 nan 8.150 nan 0.000 0.470 139 K N 1.880 122.333 120.400 0.088 0.000 2.276 139 K HA 0.367 4.684 4.320 -0.006 0.000 0.285 139 K C -0.287 176.335 176.600 0.036 0.000 1.062 139 K CA 0.059 56.394 56.287 0.081 0.000 0.918 139 K CB 0.551 33.089 32.500 0.064 0.000 1.055 139 K HN 0.593 nan 8.250 nan 0.000 0.477 140 S N 4.826 120.571 115.700 0.076 0.000 2.474 140 S HA 0.402 4.868 4.470 -0.006 0.000 0.321 140 S C -0.814 173.847 174.600 0.102 0.000 1.080 140 S CA -0.951 57.239 58.200 -0.018 0.000 1.106 140 S CB 0.528 63.635 63.200 -0.156 0.000 0.984 140 S HN 0.664 nan 8.310 nan 0.000 0.464 141 R N 2.977 123.410 120.500 -0.111 0.000 2.368 141 R HA 0.578 4.914 4.340 -0.006 0.000 0.302 141 R C 1.264 177.498 176.300 -0.110 0.000 1.002 141 R CA -0.127 55.773 56.100 -0.334 0.000 0.929 141 R CB 0.927 30.452 30.300 -1.292 0.000 1.073 141 R HN 0.714 nan 8.270 nan 0.000 0.464 142 A N 3.724 126.524 122.820 -0.034 0.000 2.067 142 A HA -0.097 4.220 4.320 -0.006 0.000 0.219 142 A C 1.027 178.593 177.584 -0.030 0.000 1.158 142 A CA 0.718 52.746 52.037 -0.015 0.000 0.661 142 A CB -0.394 18.469 19.000 -0.230 0.000 0.801 142 A HN 0.963 nan 8.150 nan 0.000 0.452 143 W N -0.567 120.731 121.300 -0.003 0.000 3.290 143 W HA 0.245 4.902 4.660 -0.006 0.000 0.287 143 W C -0.472 176.044 176.519 -0.005 0.000 1.288 143 W CA -0.349 56.969 57.345 -0.045 0.000 1.725 143 W CB -0.894 28.518 29.460 -0.081 0.000 1.103 143 W HN 0.248 nan 8.180 nan 0.000 0.670 144 D N 1.732 122.051 120.400 -0.135 0.000 2.531 144 D HA 0.201 4.837 4.640 -0.006 0.000 0.239 144 D C 1.519 177.839 176.300 0.034 0.000 1.144 144 D CA 2.501 56.443 54.000 -0.098 0.000 0.869 144 D CB 0.486 41.170 40.800 -0.193 0.000 1.160 144 D HN 0.354 nan 8.370 nan 0.000 0.484 145 G N 3.754 112.599 108.800 0.075 0.000 2.175 145 G HA2 -0.276 3.680 3.960 -0.006 0.000 0.244 145 G HA3 -0.276 3.680 3.960 -0.006 0.000 0.244 145 G C 0.783 175.721 174.900 0.063 0.000 0.982 145 G CA 0.441 45.572 45.100 0.050 0.000 0.641 145 G HN 0.576 nan 8.290 nan 0.000 0.527 146 K N -0.490 119.977 120.400 0.111 0.000 2.533 146 K HA 0.281 4.597 4.320 -0.006 0.000 0.202 146 K C 1.337 177.978 176.600 0.068 0.000 1.096 146 K CA 0.171 56.502 56.287 0.072 0.000 1.056 146 K CB 0.650 33.181 32.500 0.051 0.000 0.890 146 K HN 0.214 nan 8.250 nan 0.000 0.552 147 E N 0.975 121.238 120.200 0.105 0.000 2.038 147 E HA -0.176 4.170 4.350 -0.006 0.000 0.195 147 E C 1.785 178.374 176.600 -0.019 0.000 1.000 147 E CA 1.565 57.989 56.400 0.039 0.000 0.803 147 E CB -0.138 29.606 29.700 0.074 0.000 0.750 147 E HN -0.013 nan 8.360 nan 0.000 0.448 148 V N 0.864 120.773 119.914 -0.008 0.000 2.358 148 V HA -0.233 3.884 4.120 -0.006 0.000 0.246 148 V C 2.202 178.280 176.094 -0.027 0.000 1.047 148 V CA 1.732 64.017 62.300 -0.025 0.000 1.035 148 V CB -0.861 30.953 31.823 -0.015 0.000 0.658 148 V HN 0.363 nan 8.190 nan 0.000 0.452 149 A N -0.385 122.422 122.820 -0.021 0.000 2.019 149 A HA -0.182 4.135 4.320 -0.006 0.000 0.219 149 A C 2.455 180.009 177.584 -0.049 0.000 1.164 149 A CA 2.098 54.117 52.037 -0.030 0.000 0.644 149 A CB -0.520 18.458 19.000 -0.037 0.000 0.805 149 A HN 0.514 nan 8.150 nan 0.000 0.449 150 S N -0.555 115.115 115.700 -0.049 0.000 2.371 150 S HA -0.064 4.403 4.470 -0.006 0.000 0.224 150 S C 1.854 176.493 174.600 0.065 0.000 1.029 150 S CA 1.023 59.194 58.200 -0.048 0.000 0.978 150 S CB -0.445 62.717 63.200 -0.063 0.000 0.833 150 S HN 0.589 nan 8.310 nan 0.000 0.466 151 L N 1.401 122.640 121.223 0.026 0.000 2.013 151 L HA -0.143 4.194 4.340 -0.006 0.000 0.212 151 L C 1.987 178.855 176.870 -0.003 0.000 1.073 151 L CA 1.509 56.347 54.840 -0.002 0.000 0.753 151 L CB -0.256 41.743 42.059 -0.100 0.000 0.890 151 L HN 0.304 nan 8.230 nan 0.000 0.432 152 L N -0.673 120.515 121.223 -0.058 0.000 2.156 152 L HA -0.125 4.212 4.340 -0.006 0.000 0.208 152 L C 2.788 179.558 176.870 -0.166 0.000 1.095 152 L CA 0.873 55.610 54.840 -0.172 0.000 0.770 152 L CB -0.700 41.298 42.059 -0.102 0.000 0.914 152 L HN 0.334 nan 8.230 nan 0.000 0.439 153 A N -0.710 122.089 122.820 -0.034 0.000 1.933 153 A HA -0.237 4.079 4.320 -0.006 0.000 0.218 153 A C 2.092 179.726 177.584 0.083 0.000 1.175 153 A CA 1.077 53.105 52.037 -0.015 0.000 0.628 153 A CB -0.815 18.101 19.000 -0.140 0.000 0.814 153 A HN 0.556 nan 8.150 nan 0.000 0.444 154 W N 1.137 122.448 121.300 0.018 0.000 2.465 154 W HA -0.072 4.584 4.660 -0.006 0.000 0.268 154 W C 1.898 178.316 176.519 -0.168 0.000 1.242 154 W CA 1.824 59.159 57.345 -0.017 0.000 1.248 154 W CB -0.704 28.758 29.460 0.003 0.000 1.118 154 W HN 0.417 nan 8.180 nan 0.000 0.587 155 T N -1.838 112.731 114.554 0.024 0.000 2.852 155 T HA -0.125 4.222 4.350 -0.006 0.000 0.256 155 T C 1.290 175.981 174.700 -0.014 0.000 1.038 155 T CA 1.426 63.475 62.100 -0.085 0.000 1.141 155 T CB -0.529 68.215 68.868 -0.207 0.000 0.869 155 T HN 0.217 nan 8.240 nan 0.000 0.439 156 H N 1.731 120.856 119.070 0.091 0.000 2.423 156 H HA -0.076 4.476 4.556 -0.006 0.000 0.297 156 H C 2.557 177.876 175.328 -0.016 0.000 1.075 156 H CA 1.231 57.313 56.048 0.057 0.000 1.342 156 H CB -0.051 29.711 29.762 0.000 0.000 1.395 156 H HN 0.472 nan 8.280 nan 0.000 0.530 157 Q N 0.751 120.554 119.800 0.005 0.000 2.226 157 Q HA -0.149 4.188 4.340 -0.006 0.000 0.204 157 Q C 1.775 177.646 176.000 -0.215 0.000 0.975 157 Q CA 1.579 57.319 55.803 -0.104 0.000 0.866 157 Q CB -0.413 28.148 28.738 -0.296 0.000 0.915 157 Q HN 0.490 nan 8.270 nan 0.000 0.440 158 M N 0.314 119.725 119.600 -0.316 0.000 2.435 158 M HA -0.094 4.383 4.480 -0.006 0.000 0.262 158 M C 1.391 177.719 176.300 0.046 0.000 1.065 158 M CA 1.479 56.572 55.300 -0.346 0.000 1.076 158 M CB -0.216 32.382 32.600 -0.004 0.000 1.403 158 M HN 0.213 nan 8.290 nan 0.000 0.454 159 K N 0.424 120.860 120.400 0.059 0.000 2.356 159 K HA 0.253 4.569 4.320 -0.006 0.000 0.195 159 K C 0.747 177.401 176.600 0.091 0.000 1.037 159 K CA -0.069 56.238 56.287 0.032 0.000 1.014 159 K CB 0.135 32.564 32.500 -0.119 0.000 0.815 159 K HN 0.220 nan 8.250 nan 0.000 0.507 160 A N 1.965 124.871 122.820 0.142 0.000 2.555 160 A HA -0.044 4.272 4.320 -0.006 0.000 0.233 160 A C 0.665 178.393 177.584 0.241 0.000 1.060 160 A CA 0.532 52.697 52.037 0.213 0.000 0.759 160 A CB 0.284 19.504 19.000 0.366 0.000 0.995 160 A HN 0.136 nan 8.150 nan 0.000 0.506 161 K N 0.544 121.072 120.400 0.215 0.000 2.402 161 K HA 0.098 4.414 4.320 -0.006 0.000 0.204 161 K C -0.407 176.335 176.600 0.237 0.000 1.056 161 K CA 0.435 56.840 56.287 0.196 0.000 1.069 161 K CB 0.237 32.819 32.500 0.136 0.000 0.888 161 K HN 0.945 nan 8.250 nan 0.000 0.546 162 N N -2.290 116.598 118.700 0.314 0.000 3.277 162 N HA 0.009 4.746 4.740 -0.006 0.000 0.278 162 N C 0.078 175.842 175.510 0.423 0.000 1.544 162 N CA -0.918 52.355 53.050 0.371 0.000 0.869 162 N CB -0.139 38.489 38.487 0.236 0.000 1.584 162 N HN -0.054 nan 8.380 nan 0.000 0.564 163 W N 0.307 121.612 121.300 0.008 0.000 2.379 163 W HA -0.126 4.530 4.660 -0.006 0.000 0.307 163 W C 1.073 177.572 176.519 -0.033 0.000 1.200 163 W CA 1.939 59.123 57.345 -0.268 0.000 1.297 163 W CB 0.019 29.121 29.460 -0.596 0.000 1.140 163 W HN 0.658 nan 8.180 nan 0.000 0.507 164 Q N 0.529 120.343 119.800 0.022 0.000 2.061 164 Q HA -0.289 4.048 4.340 -0.006 0.000 0.204 164 Q C 2.300 178.258 176.000 -0.071 0.000 0.984 164 Q CA 2.481 58.241 55.803 -0.072 0.000 0.846 164 Q CB -0.714 28.033 28.738 0.014 0.000 0.902 164 Q HN 0.422 nan 8.270 nan 0.000 0.421 165 Q N -0.926 118.894 119.800 0.034 0.000 2.119 165 Q HA -0.180 4.156 4.340 -0.006 0.000 0.201 165 Q C 1.674 177.709 176.000 0.058 0.000 0.972 165 Q CA 1.173 56.998 55.803 0.036 0.000 0.847 165 Q CB -0.237 28.557 28.738 0.093 0.000 0.903 165 Q HN 0.472 nan 8.270 nan 0.000 0.433 166 W N 1.332 122.597 121.300 -0.058 0.000 2.388 166 W HA -0.162 4.494 4.660 -0.007 0.000 0.294 166 W C 2.150 178.562 176.519 -0.177 0.000 1.212 166 W CA 2.115 59.442 57.345 -0.030 0.000 1.271 166 W CB -0.115 29.456 29.460 0.185 0.000 1.126 166 W HN 0.137 nan 8.180 nan 0.000 0.535 167 T N -1.918 112.426 114.554 -0.350 0.000 3.023 167 T HA -0.144 4.203 4.350 -0.006 0.000 0.266 167 T C 1.561 175.914 174.700 -0.578 0.000 1.093 167 T CA 1.282 63.038 62.100 -0.575 0.000 1.129 167 T CB -0.433 68.058 68.868 -0.628 0.000 0.899 167 T HN 0.312 nan 8.240 nan 0.000 0.491 168 Q N 0.403 119.957 119.800 -0.410 0.000 2.124 168 Q HA -0.116 4.221 4.340 -0.006 0.000 0.202 168 Q C 2.575 178.321 176.000 -0.424 0.000 0.977 168 Q CA 1.293 56.865 55.803 -0.385 0.000 0.850 168 Q CB -0.071 28.526 28.738 -0.234 0.000 0.901 168 Q HN 0.533 nan 8.270 nan 0.000 0.429 169 Q N -0.726 118.846 119.800 -0.381 0.000 2.212 169 Q HA 0.026 4.362 4.340 -0.006 0.000 0.199 169 Q C 1.955 177.619 176.000 -0.560 0.000 0.950 169 Q CA 1.056 56.654 55.803 -0.341 0.000 0.863 169 Q CB -0.141 28.496 28.738 -0.169 0.000 0.944 169 Q HN 0.331 nan 8.270 nan 0.000 0.465 170 A N 1.446 123.808 122.820 -0.764 0.000 1.933 170 A HA -0.042 4.275 4.320 -0.006 0.000 0.218 170 A C 2.280 179.277 177.584 -0.978 0.000 1.175 170 A CA 1.636 52.995 52.037 -1.130 0.000 0.628 170 A CB -0.585 17.859 19.000 -0.926 0.000 0.814 170 A HN 0.330 nan 8.150 nan 0.000 0.444 171 A N -0.570 121.588 122.820 -1.104 0.000 2.178 171 A HA -0.104 4.212 4.320 -0.006 0.000 0.218 171 A C 1.895 179.093 177.584 -0.643 0.000 1.157 171 A CA 1.558 52.869 52.037 -1.210 0.000 0.689 171 A CB -0.284 17.847 19.000 -1.449 0.000 0.787 171 A HN 0.542 nan 8.150 nan 0.000 0.465 172 K N -0.900 119.172 120.400 -0.547 0.000 2.355 172 K HA 0.095 4.412 4.320 -0.006 0.000 0.198 172 K C 0.458 176.826 176.600 -0.386 0.000 1.039 172 K CA -0.208 55.855 56.287 -0.373 0.000 1.075 172 K CB 0.356 32.691 32.500 -0.275 0.000 0.870 172 K HN 0.316 nan 8.250 nan 0.000 0.540 173 Q N 0.975 120.422 119.800 -0.588 0.000 2.295 173 Q HA 0.193 4.529 4.340 -0.006 0.000 0.259 173 Q C 0.064 175.778 176.000 -0.477 0.000 0.976 173 Q CA 0.048 55.487 55.803 -0.608 0.000 0.923 173 Q CB 1.545 29.598 28.738 -1.141 0.000 1.185 173 Q HN 0.220 nan 8.270 nan 0.000 0.410 174 A N 5.375 128.008 122.820 -0.312 0.000 2.303 174 A HA 0.237 4.553 4.320 -0.006 0.000 0.217 174 A C 0.594 178.032 177.584 -0.243 0.000 1.205 174 A CA -0.132 51.767 52.037 -0.230 0.000 0.875 174 A CB 0.350 19.304 19.000 -0.077 0.000 0.910 174 A HN 0.657 nan 8.150 nan 0.000 0.501 175 L N -0.259 120.776 121.223 -0.313 0.000 2.418 175 L HA 0.219 4.556 4.340 -0.006 0.000 0.265 175 L C 0.923 177.635 176.870 -0.265 0.000 1.143 175 L CA -0.344 54.284 54.840 -0.354 0.000 0.809 175 L CB 0.768 42.621 42.059 -0.342 0.000 1.124 175 L HN 0.080 nan 8.230 nan 0.000 0.456 176 T N 4.081 118.537 114.554 -0.164 0.000 2.961 176 T HA 0.332 4.679 4.350 -0.006 0.000 0.270 176 T C -0.340 174.310 174.700 -0.083 0.000 0.926 176 T CA -0.289 61.775 62.100 -0.060 0.000 1.112 176 T CB -0.955 68.014 68.868 0.169 0.000 0.926 176 T HN 0.212 nan 8.240 nan 0.000 0.612 177 I N 4.425 124.907 120.570 -0.147 0.000 2.569 177 I HA 0.387 4.553 4.170 -0.006 0.000 0.290 177 I C -0.158 175.954 176.117 -0.009 0.000 1.088 177 I CA -1.200 60.112 61.300 0.020 0.000 1.047 177 I CB 1.959 40.044 38.000 0.143 0.000 1.237 177 I HN 0.439 nan 8.210 nan 0.000 0.421 178 N N 4.075 122.930 118.700 0.258 0.000 2.514 178 N HA 0.278 5.015 4.740 -0.006 0.000 0.277 178 N C -1.161 174.580 175.510 0.384 0.000 1.126 178 N CA -0.062 53.148 53.050 0.265 0.000 0.978 178 N CB 1.540 40.346 38.487 0.533 0.000 1.106 178 N HN 0.411 nan 8.380 nan 0.000 0.461 179 W N 1.836 123.051 121.300 -0.142 0.000 2.736 179 W HA 0.418 5.074 4.660 -0.006 0.000 0.335 179 W C -0.789 175.811 176.519 0.136 0.000 1.059 179 W CA -0.516 56.889 57.345 0.101 0.000 1.226 179 W CB 0.561 30.027 29.460 0.011 0.000 1.416 179 W HN 0.358 nan 8.180 nan 0.000 0.505 180 Y N 2.031 122.840 120.300 0.849 0.000 2.512 180 Y HA 0.446 4.992 4.550 -0.006 0.000 0.348 180 Y C -0.939 175.197 175.900 0.393 0.000 0.990 180 Y CA -1.539 56.959 58.100 0.662 0.000 1.033 180 Y CB 1.962 40.698 38.460 0.459 0.000 1.259 180 Y HN 0.318 nan 8.280 nan 0.000 0.461 181 Y N 1.365 121.768 120.300 0.172 0.000 2.446 181 Y HA 0.866 5.413 4.550 -0.006 0.000 0.345 181 Y C -1.064 174.850 175.900 0.022 0.000 0.984 181 Y CA -0.952 57.012 58.100 -0.226 0.000 1.058 181 Y CB 1.446 39.646 38.460 -0.434 0.000 1.220 181 Y HN 0.777 nan 8.280 nan 0.000 0.455 182 A N 3.999 126.524 122.820 -0.493 0.000 2.556 182 A HA 0.736 5.053 4.320 -0.006 0.000 0.294 182 A C -1.775 175.363 177.584 -0.743 0.000 1.091 182 A CA -0.401 51.444 52.037 -0.321 0.000 0.704 182 A CB 1.577 20.599 19.000 0.036 0.000 1.300 182 A HN 0.805 nan 8.150 nan 0.000 0.406 183 D N -1.453 118.555 120.400 -0.653 0.000 2.610 183 D HA 0.420 5.057 4.640 -0.006 0.000 0.271 183 D C 0.726 176.327 176.300 -1.166 0.000 1.174 183 D CA 0.173 53.574 54.000 -0.999 0.000 0.949 183 D CB 0.397 40.942 40.800 -0.425 0.000 1.430 183 D HN 0.686 nan 8.370 nan 0.000 0.467 184 V N -1.136 118.163 119.914 -1.025 0.000 2.594 184 V HA -0.099 4.018 4.120 -0.006 0.000 0.253 184 V C 1.158 177.151 176.094 -0.168 0.000 1.069 184 V CA 1.300 63.310 62.300 -0.482 0.000 1.082 184 V CB -0.987 30.766 31.823 -0.117 0.000 0.680 184 V HN 0.549 nan 8.190 nan 0.000 0.469 185 N N 0.941 119.555 118.700 -0.142 0.000 2.398 185 N HA 0.171 4.908 4.740 -0.006 0.000 0.188 185 N C 1.587 177.073 175.510 -0.040 0.000 1.122 185 N CA 1.036 54.058 53.050 -0.047 0.000 0.866 185 N CB 0.921 39.403 38.487 -0.009 0.000 0.970 185 N HN 0.749 nan 8.380 nan 0.000 0.462 186 G N 0.883 109.641 108.800 -0.070 0.000 2.157 186 G HA2 -0.233 3.723 3.960 -0.006 0.000 0.239 186 G HA3 -0.233 3.723 3.960 -0.006 0.000 0.239 186 G C -0.103 174.766 174.900 -0.052 0.000 0.982 186 G CA -0.461 44.619 45.100 -0.034 0.000 0.650 186 G HN 0.275 nan 8.290 nan 0.000 0.527 187 N N 0.636 119.306 118.700 -0.049 0.000 2.525 187 N HA 0.605 5.341 4.740 -0.006 0.000 0.271 187 N C 0.568 176.077 175.510 -0.002 0.000 1.194 187 N CA 0.819 53.812 53.050 -0.095 0.000 0.964 187 N CB 1.346 39.860 38.487 0.046 0.000 1.126 187 N HN 0.850 nan 8.380 nan 0.000 0.452 188 I N -3.384 117.113 120.570 -0.121 0.000 2.769 188 I HA 0.860 5.027 4.170 -0.006 0.000 0.298 188 I C -0.168 175.969 176.117 0.034 0.000 1.128 188 I CA -0.982 60.370 61.300 0.086 0.000 1.031 188 I CB 2.390 40.433 38.000 0.072 0.000 1.235 188 I HN 0.455 nan 8.210 nan 0.000 0.423 189 G N 2.601 111.597 108.800 0.326 0.000 2.677 189 G HA2 0.607 4.563 3.960 -0.006 0.000 0.291 189 G HA3 0.607 4.563 3.960 -0.006 0.000 0.291 189 G C -2.605 172.727 174.900 0.719 0.000 1.435 189 G CA -0.642 44.678 45.100 0.367 0.000 0.826 189 G HN 0.865 nan 8.290 nan 0.000 0.491 190 Y N 0.008 120.656 120.300 0.580 0.000 2.504 190 Y HA 0.696 5.243 4.550 -0.006 0.000 0.344 190 Y C -1.519 174.620 175.900 0.398 0.000 1.023 190 Y CA -1.130 57.211 58.100 0.402 0.000 1.020 190 Y CB 2.257 40.858 38.460 0.236 0.000 1.282 190 Y HN 0.588 nan 8.280 nan 0.000 0.454 191 V N 5.056 124.729 119.914 -0.402 0.000 2.668 191 V HA 0.212 4.329 4.120 -0.006 0.000 0.304 191 V C -1.198 174.472 176.094 -0.706 0.000 1.071 191 V CA -0.862 61.157 62.300 -0.468 0.000 0.894 191 V CB 1.463 33.178 31.823 -0.181 0.000 1.008 191 V HN 0.871 nan 8.190 nan 0.000 0.425 192 H N 3.459 122.058 119.070 -0.785 0.000 2.969 192 H HA 0.479 5.032 4.556 -0.006 0.000 0.269 192 H C 0.642 175.811 175.328 -0.265 0.000 1.223 192 H CA 0.235 56.020 56.048 -0.437 0.000 1.400 192 H CB 0.519 30.043 29.762 -0.396 0.000 1.500 192 H HN 0.874 nan 8.280 nan 0.000 0.486 193 T N 1.836 116.095 114.554 -0.492 0.000 2.816 193 T HA 0.652 4.999 4.350 -0.006 0.000 0.282 193 T C 0.624 175.128 174.700 -0.326 0.000 0.993 193 T CA 0.012 61.834 62.100 -0.463 0.000 0.994 193 T CB 1.317 69.671 68.868 -0.855 0.000 1.025 193 T HN 1.009 nan 8.240 nan 0.000 0.529 194 G N -0.638 108.001 108.800 -0.268 0.000 2.357 194 G HA2 0.500 4.457 3.960 -0.006 0.000 0.643 194 G HA3 0.500 4.457 3.960 -0.006 0.000 0.643 194 G C -0.705 173.920 174.900 -0.458 0.000 1.358 194 G CA -0.508 44.369 45.100 -0.372 0.000 0.986 194 G HN 1.329 nan 8.290 nan 0.000 0.620 195 A N 0.132 122.622 122.820 -0.550 0.000 2.289 195 A HA 0.808 5.125 4.320 -0.006 0.000 0.298 195 A C -0.906 176.188 177.584 -0.816 0.000 1.208 195 A CA -0.193 51.581 52.037 -0.440 0.000 0.845 195 A CB 0.283 19.160 19.000 -0.205 0.000 1.125 195 A HN 1.179 nan 8.150 nan 0.000 0.517 196 Y N 2.777 123.041 120.300 -0.059 0.000 2.425 196 Y HA 0.476 5.023 4.550 -0.006 0.000 0.344 196 Y C -2.114 173.628 175.900 -0.263 0.000 0.969 196 Y CA -2.711 55.311 58.100 -0.129 0.000 1.052 196 Y CB 1.703 40.142 38.460 -0.034 0.000 1.215 196 Y HN 0.515 nan 8.280 nan 0.000 0.451 197 P HA -0.050 nan 4.420 nan 0.000 0.269 197 P C -0.540 176.546 177.300 -0.357 0.000 1.215 197 P CA 0.068 62.730 63.100 -0.729 0.000 0.780 197 P CB 1.039 31.616 31.700 -1.871 0.000 0.898 198 D N 2.554 122.837 120.400 -0.195 0.000 2.485 198 D HA 0.153 4.790 4.640 -0.006 0.000 0.229 198 D C -0.129 176.190 176.300 0.032 0.000 1.101 198 D CA -0.438 53.537 54.000 -0.042 0.000 0.906 198 D CB 0.045 40.862 40.800 0.029 0.000 1.019 198 D HN 0.158 nan 8.370 nan 0.000 0.516 199 R N 2.019 122.515 120.500 -0.007 0.000 2.531 199 R HA 0.239 4.575 4.340 -0.006 0.000 0.273 199 R C 0.578 177.009 176.300 0.218 0.000 1.070 199 R CA -0.775 55.404 56.100 0.132 0.000 1.112 199 R CB 0.830 31.080 30.300 -0.083 0.000 1.049 199 R HN 0.357 nan 8.270 nan 0.000 0.508 200 Q N 0.732 120.746 119.800 0.358 0.000 2.395 200 Q HA 0.031 4.367 4.340 -0.006 0.000 0.271 200 Q C -0.098 176.084 176.000 0.304 0.000 1.026 200 Q CA 0.390 56.366 55.803 0.287 0.000 0.900 200 Q CB 0.828 29.751 28.738 0.307 0.000 1.266 200 Q HN 0.503 nan 8.270 nan 0.000 0.430 201 S N 0.379 116.197 115.700 0.197 0.000 2.546 201 S HA 0.258 4.725 4.470 -0.006 0.000 0.290 201 S C 1.070 175.854 174.600 0.308 0.000 1.290 201 S CA 0.985 59.299 58.200 0.190 0.000 1.069 201 S CB 0.026 63.293 63.200 0.112 0.000 0.846 201 S HN 0.798 nan 8.310 nan 0.000 0.495 202 G N 2.319 111.290 108.800 0.285 0.000 2.175 202 G HA2 -0.247 3.710 3.960 -0.006 0.000 0.244 202 G HA3 -0.247 3.710 3.960 -0.006 0.000 0.244 202 G C -0.028 175.054 174.900 0.303 0.000 0.982 202 G CA 0.385 45.676 45.100 0.317 0.000 0.641 202 G HN 0.918 nan 8.290 nan 0.000 0.527 203 H N 1.109 120.325 119.070 0.243 0.000 2.800 203 H HA 0.468 5.021 4.556 -0.006 0.000 0.291 203 H C -0.630 174.689 175.328 -0.015 0.000 1.076 203 H CA -0.303 55.778 56.048 0.056 0.000 1.452 203 H CB 0.652 30.546 29.762 0.221 0.000 1.461 203 H HN 0.121 nan 8.280 nan 0.000 0.488 204 D N 7.553 128.052 120.400 0.165 0.000 2.347 204 D HA 0.063 4.699 4.640 -0.006 0.000 0.235 204 D C -1.722 174.681 176.300 0.172 0.000 1.149 204 D CA -2.474 51.587 54.000 0.102 0.000 0.850 204 D CB 1.630 42.435 40.800 0.009 0.000 1.061 204 D HN 0.454 nan 8.370 nan 0.000 0.487 205 P HA -0.009 nan 4.420 nan 0.000 0.239 205 P C 0.578 177.906 177.300 0.046 0.000 1.184 205 P CA 0.339 63.458 63.100 0.032 0.000 0.760 205 P CB 0.293 31.931 31.700 -0.102 0.000 0.884 206 R N -1.111 119.410 120.500 0.035 0.000 2.312 206 R HA 0.323 4.660 4.340 -0.006 0.000 0.205 206 R C 0.742 177.053 176.300 0.019 0.000 0.904 206 R CA 0.162 56.278 56.100 0.027 0.000 1.052 206 R CB 0.143 30.459 30.300 0.028 0.000 1.014 206 R HN 0.220 nan 8.270 nan 0.000 0.503 207 L N 0.208 121.431 121.223 -0.000 0.000 2.376 207 L HA 0.504 4.841 4.340 -0.006 0.000 0.258 207 L C -2.446 174.369 176.870 -0.092 0.000 1.013 207 L CA -2.682 52.133 54.840 -0.043 0.000 0.822 207 L CB 1.964 43.983 42.059 -0.066 0.000 1.388 207 L HN -0.256 nan 8.230 nan 0.000 0.413 208 P HA 0.133 nan 4.420 nan 0.000 0.269 208 P C -1.168 175.941 177.300 -0.317 0.000 1.209 208 P CA -0.248 62.761 63.100 -0.150 0.000 0.776 208 P CB 0.637 32.333 31.700 -0.007 0.000 0.876 209 V N -0.469 119.158 119.914 -0.477 0.000 2.769 209 V HA 0.641 4.757 4.120 -0.006 0.000 0.312 209 V C -2.704 173.163 176.094 -0.379 0.000 1.061 209 V CA -3.286 58.626 62.300 -0.647 0.000 0.931 209 V CB 1.449 32.689 31.823 -0.971 0.000 1.010 209 V HN 0.293 nan 8.190 nan 0.000 0.433 210 P HA 0.210 nan 4.420 nan 0.000 0.265 210 P C 0.796 178.185 177.300 0.147 0.000 1.193 210 P CA 0.473 63.573 63.100 -0.001 0.000 0.765 210 P CB 0.675 32.453 31.700 0.129 0.000 0.823 211 G N 1.211 110.090 108.800 0.133 0.000 3.284 211 G HA2 -0.026 3.930 3.960 -0.006 0.000 0.236 211 G HA3 -0.026 3.930 3.960 -0.006 0.000 0.236 211 G C 0.944 176.035 174.900 0.318 0.000 1.158 211 G CA 0.117 45.318 45.100 0.168 0.000 0.774 211 G HN 0.537 nan 8.290 nan 0.000 0.545 212 T N -3.534 111.179 114.554 0.265 0.000 3.160 212 T HA 0.387 4.733 4.350 -0.006 0.000 0.257 212 T C 1.756 176.599 174.700 0.239 0.000 1.147 212 T CA 1.210 63.444 62.100 0.223 0.000 1.064 212 T CB 0.277 69.200 68.868 0.092 0.000 0.949 212 T HN 0.888 nan 8.240 nan 0.000 0.526 213 G N 1.514 110.499 108.800 0.308 0.000 3.180 213 G HA2 -0.193 3.763 3.960 -0.006 0.000 0.197 213 G HA3 -0.193 3.763 3.960 -0.006 0.000 0.197 213 G C 0.854 175.801 174.900 0.080 0.000 1.149 213 G CA -0.033 45.151 45.100 0.140 0.000 0.847 213 G HN 0.421 nan 8.290 nan 0.000 0.469 214 K N 0.192 120.583 120.400 -0.015 0.000 2.288 214 K HA 0.183 4.500 4.320 -0.006 0.000 0.201 214 K C 1.409 177.796 176.600 -0.355 0.000 1.048 214 K CA 1.047 57.188 56.287 -0.243 0.000 0.956 214 K CB -0.248 31.987 32.500 -0.442 0.000 0.746 214 K HN 0.604 nan 8.250 nan 0.000 0.461 215 W N 1.677 123.062 121.300 0.141 0.000 3.278 215 W HA 0.146 4.803 4.660 -0.006 0.000 0.308 215 W C -0.472 176.252 176.519 0.342 0.000 1.253 215 W CA -0.804 56.634 57.345 0.155 0.000 1.759 215 W CB 0.270 29.723 29.460 -0.013 0.000 1.093 215 W HN -0.141 nan 8.180 nan 0.000 0.648 216 D N 0.298 120.990 120.400 0.486 0.000 2.443 216 D HA -0.080 4.556 4.640 -0.006 0.000 0.239 216 D C 0.493 177.079 176.300 0.476 0.000 1.136 216 D CA 0.288 54.546 54.000 0.431 0.000 0.879 216 D CB 0.481 41.449 40.800 0.279 0.000 1.195 216 D HN -0.192 nan 8.370 nan 0.000 0.443 217 W N 1.752 123.295 121.300 0.406 0.000 2.187 217 W HA 0.007 4.663 4.660 -0.006 0.000 0.348 217 W C 1.523 178.147 176.519 0.176 0.000 1.282 217 W CA -0.409 57.106 57.345 0.284 0.000 1.271 217 W CB -0.140 29.462 29.460 0.237 0.000 1.170 217 W HN 0.405 nan 8.180 nan 0.000 0.583 218 K N 1.093 121.712 120.400 0.365 0.000 2.361 218 K HA 0.256 4.573 4.320 -0.006 0.000 0.196 218 K C 1.098 177.809 176.600 0.186 0.000 1.039 218 K CA 0.886 57.302 56.287 0.216 0.000 1.001 218 K CB 0.428 33.019 32.500 0.151 0.000 0.795 218 K HN 0.630 nan 8.250 nan 0.000 0.495 219 G N 0.457 109.390 108.800 0.221 0.000 2.373 219 G HA2 0.137 4.094 3.960 -0.006 0.000 0.250 219 G HA3 0.137 4.094 3.960 -0.006 0.000 0.250 219 G C -1.885 173.076 174.900 0.100 0.000 1.304 219 G CA -1.024 44.169 45.100 0.155 0.000 0.948 219 G HN -0.016 nan 8.290 nan 0.000 0.474 220 L N 0.418 121.670 121.223 0.048 0.000 2.341 220 L HA 0.662 4.999 4.340 -0.006 0.000 0.267 220 L C 0.145 177.022 176.870 0.010 0.000 1.009 220 L CA -0.939 53.897 54.840 -0.006 0.000 0.819 220 L CB 1.943 43.994 42.059 -0.014 0.000 1.323 220 L HN 0.440 nan 8.230 nan 0.000 0.425 221 L N 2.126 123.359 121.223 0.017 0.000 2.436 221 L HA 0.360 4.697 4.340 -0.006 0.000 0.265 221 L C -1.917 174.986 176.870 0.055 0.000 1.168 221 L CA -1.624 53.241 54.840 0.042 0.000 0.815 221 L CB 0.463 42.562 42.059 0.066 0.000 1.109 221 L HN 0.361 nan 8.230 nan 0.000 0.462 222 P HA 0.020 nan 4.420 nan 0.000 0.274 222 P C 0.329 177.684 177.300 0.092 0.000 1.246 222 P CA -0.392 62.748 63.100 0.066 0.000 0.795 222 P CB 0.500 32.230 31.700 0.050 0.000 1.006 223 F N 1.282 121.205 119.950 -0.045 0.000 2.269 223 F HA -0.162 4.362 4.527 -0.005 0.000 0.301 223 F C 2.132 177.901 175.800 -0.052 0.000 1.082 223 F CA 1.722 59.680 58.000 -0.070 0.000 1.360 223 F CB -0.278 38.648 39.000 -0.123 0.000 1.041 223 F HN 0.460 nan 8.300 nan 0.000 0.512 224 E N -0.195 119.960 120.200 -0.075 0.000 2.209 224 E HA -0.231 4.116 4.350 -0.006 0.000 0.196 224 E C 1.984 178.482 176.600 -0.170 0.000 0.993 224 E CA 1.589 57.905 56.400 -0.140 0.000 0.819 224 E CB -0.157 29.526 29.700 -0.030 0.000 0.745 224 E HN 0.371 nan 8.360 nan 0.000 0.477 225 M N 0.799 120.331 119.600 -0.113 0.000 2.394 225 M HA 0.010 4.486 4.480 -0.006 0.000 0.264 225 M C 0.088 176.319 176.300 -0.115 0.000 1.073 225 M CA 0.449 55.706 55.300 -0.072 0.000 1.111 225 M CB -0.883 31.716 32.600 -0.001 0.000 1.401 225 M HN -0.019 nan 8.290 nan 0.000 0.448 226 N N 2.064 120.622 118.700 -0.236 0.000 2.468 226 N HA 0.116 4.853 4.740 -0.006 0.000 0.265 226 N C -2.488 172.852 175.510 -0.284 0.000 1.199 226 N CA -0.778 52.128 53.050 -0.240 0.000 0.928 226 N CB -0.045 38.244 38.487 -0.329 0.000 1.059 226 N HN -0.003 nan 8.380 nan 0.000 0.467 227 P HA -0.014 nan 4.420 nan 0.000 0.261 227 P C -0.675 176.495 177.300 -0.216 0.000 1.183 227 P CA 0.394 63.360 63.100 -0.222 0.000 0.761 227 P CB 0.234 31.731 31.700 -0.338 0.000 0.785 228 K N 1.162 121.507 120.400 -0.092 0.000 2.562 228 K HA 0.753 5.069 4.320 -0.006 0.000 0.267 228 K C -2.117 174.589 176.600 0.177 0.000 0.938 228 K CA -1.064 55.222 56.287 -0.001 0.000 0.840 228 K CB 1.970 34.449 32.500 -0.035 0.000 1.390 228 K HN 0.188 nan 8.250 nan 0.000 0.428 229 V N 2.661 122.765 119.914 0.317 0.000 2.932 229 V HA 0.562 4.679 4.120 -0.006 0.000 0.307 229 V C -2.229 174.000 176.094 0.224 0.000 1.147 229 V CA -0.585 61.862 62.300 0.246 0.000 0.951 229 V CB 2.119 34.050 31.823 0.179 0.000 1.031 229 V HN 0.814 nan 8.190 nan 0.000 0.426 230 Y N 5.659 125.887 120.300 -0.120 0.000 2.338 230 Y HA 0.522 5.069 4.550 -0.006 0.000 0.333 230 Y C 0.330 176.061 175.900 -0.281 0.000 0.968 230 Y CA -0.844 56.983 58.100 -0.454 0.000 1.123 230 Y CB 1.326 39.276 38.460 -0.849 0.000 1.165 230 Y HN 0.825 nan 8.280 nan 0.000 0.452 231 N N 4.999 123.278 118.700 -0.702 0.000 2.671 231 N HA -0.140 4.596 4.740 -0.006 0.000 0.261 231 N C -2.779 172.589 175.510 -0.237 0.000 1.053 231 N CA 0.777 53.522 53.050 -0.509 0.000 0.732 231 N CB -0.744 37.334 38.487 -0.682 0.000 0.887 231 N HN 0.507 nan 8.380 nan 0.000 0.546 232 P HA -0.058 nan 4.420 nan 0.000 0.266 232 P C 0.747 177.985 177.300 -0.102 0.000 1.195 232 P CA 0.165 63.201 63.100 -0.108 0.000 0.768 232 P CB 0.692 32.321 31.700 -0.119 0.000 0.838 233 Q N 1.721 121.473 119.800 -0.080 0.000 2.152 233 Q HA -0.182 4.154 4.340 -0.006 0.000 0.206 233 Q C 2.198 178.162 176.000 -0.059 0.000 0.985 233 Q CA 2.161 57.928 55.803 -0.061 0.000 0.863 233 Q CB -0.687 28.024 28.738 -0.044 0.000 0.904 233 Q HN 0.655 nan 8.270 nan 0.000 0.422 234 S N -0.255 115.388 115.700 -0.094 0.000 2.387 234 S HA -0.128 4.339 4.470 -0.006 0.000 0.230 234 S C 1.763 176.365 174.600 0.004 0.000 1.035 234 S CA 1.068 59.216 58.200 -0.087 0.000 1.014 234 S CB -0.605 62.397 63.200 -0.329 0.000 0.836 234 S HN 0.665 nan 8.310 nan 0.000 0.466 235 G N 0.059 108.845 108.800 -0.022 0.000 2.175 235 G HA2 -0.195 3.761 3.960 -0.006 0.000 0.244 235 G HA3 -0.195 3.761 3.960 -0.006 0.000 0.244 235 G C -0.074 174.922 174.900 0.160 0.000 0.982 235 G CA 0.420 45.556 45.100 0.061 0.000 0.641 235 G HN 1.408 nan 8.290 nan 0.000 0.527 236 Y N -1.567 118.734 120.300 0.000 0.000 2.656 236 Y HA 0.783 5.329 4.550 -0.006 0.000 0.334 236 Y C -1.076 174.848 175.900 0.040 0.000 1.179 236 Y CA -2.361 55.756 58.100 0.027 0.000 1.050 236 Y CB 0.946 39.419 38.460 0.021 0.000 1.308 236 Y HN 0.196 nan 8.280 nan 0.000 0.456 237 I N 2.456 123.125 120.570 0.165 0.000 2.466 237 I HA 0.832 4.999 4.170 -0.006 0.000 0.289 237 I C -0.742 175.516 176.117 0.236 0.000 1.026 237 I CA -0.999 60.361 61.300 0.100 0.000 1.078 237 I CB 2.034 40.152 38.000 0.197 0.000 1.249 237 I HN 0.917 nan 8.210 nan 0.000 0.429 238 A N 5.861 128.788 122.820 0.178 0.000 2.449 238 A HA 0.796 5.112 4.320 -0.006 0.000 0.302 238 A C -1.260 176.403 177.584 0.132 0.000 1.048 238 A CA -0.575 51.590 52.037 0.212 0.000 0.708 238 A CB 1.941 21.114 19.000 0.289 0.000 1.274 238 A HN 0.714 nan 8.150 nan 0.000 0.410 239 N N 0.971 119.767 118.700 0.161 0.000 2.405 239 N HA 0.309 5.046 4.740 -0.006 0.000 0.274 239 N C -2.010 173.689 175.510 0.315 0.000 1.170 239 N CA -0.178 52.998 53.050 0.210 0.000 0.848 239 N CB 1.906 40.567 38.487 0.291 0.000 1.629 239 N HN 0.715 nan 8.380 nan 0.000 0.481 240 W N 3.795 125.178 121.300 0.138 0.000 0.903 240 W HA 0.371 5.027 4.660 -0.006 0.000 0.284 240 W C -0.319 176.323 176.519 0.204 0.000 0.850 240 W CA -0.455 56.980 57.345 0.150 0.000 1.925 240 W CB -1.120 28.402 29.460 0.104 0.000 1.309 240 W HN 0.706 nan 8.180 nan 0.000 0.480 241 N N 1.054 120.066 118.700 0.520 0.000 2.901 241 N HA -0.200 4.537 4.740 -0.006 0.000 0.248 241 N C 0.046 175.910 175.510 0.589 0.000 1.044 241 N CA 1.426 54.837 53.050 0.602 0.000 0.847 241 N CB -1.685 37.154 38.487 0.587 0.000 1.127 241 N HN 0.561 nan 8.380 nan 0.000 0.562 242 N N -0.489 118.359 118.700 0.245 0.000 2.379 242 N HA 0.191 4.928 4.740 -0.006 0.000 0.260 242 N C 0.099 175.143 175.510 -0.777 0.000 1.254 242 N CA -0.219 52.729 53.050 -0.171 0.000 0.958 242 N CB 0.757 39.172 38.487 -0.119 0.000 1.208 242 N HN 0.072 nan 8.380 nan 0.000 0.532 243 S N -0.238 114.575 115.700 -1.478 0.000 2.560 243 S HA 0.086 4.553 4.470 -0.006 0.000 0.284 243 S C -1.364 172.827 174.600 -0.681 0.000 1.327 243 S CA -1.070 56.172 58.200 -1.598 0.000 1.055 243 S CB 0.184 62.825 63.200 -0.931 0.000 0.868 243 S HN 0.462 nan 8.310 nan 0.000 0.506 244 P HA -0.029 nan 4.420 nan 0.000 0.216 244 P C 0.059 177.247 177.300 -0.187 0.000 1.153 244 P CA 1.013 63.953 63.100 -0.268 0.000 0.848 244 P CB 0.124 31.534 31.700 -0.483 0.000 0.787 245 Q N -2.193 117.487 119.800 -0.200 0.000 2.578 245 Q HA 0.230 4.566 4.340 -0.006 0.000 0.284 245 Q C -1.185 174.806 176.000 -0.015 0.000 0.960 245 Q CA -0.896 54.855 55.803 -0.086 0.000 0.809 245 Q CB 1.539 30.224 28.738 -0.088 0.000 1.462 245 Q HN -0.264 nan 8.270 nan 0.000 0.392 246 K N 1.666 122.068 120.400 0.003 0.000 2.484 246 K HA -0.058 4.259 4.320 -0.006 0.000 0.280 246 K C -0.727 175.915 176.600 0.070 0.000 1.013 246 K CA 1.295 57.601 56.287 0.033 0.000 1.029 246 K CB 0.224 32.736 32.500 0.021 0.000 0.902 246 K HN 0.647 nan 8.250 nan 0.000 0.481 247 D N 1.329 121.784 120.400 0.092 0.000 3.006 247 D HA -0.263 4.374 4.640 -0.006 0.000 0.205 247 D C -0.811 175.565 176.300 0.127 0.000 1.075 247 D CA 0.915 54.972 54.000 0.094 0.000 1.000 247 D CB -1.571 39.266 40.800 0.062 0.000 1.097 247 D HN 0.565 nan 8.370 nan 0.000 0.426 248 Y N 2.492 122.816 120.300 0.040 0.000 2.393 248 Y HA 0.381 4.927 4.550 -0.006 0.000 0.338 248 Y C -1.858 174.164 175.900 0.203 0.000 1.029 248 Y CA -1.493 56.639 58.100 0.052 0.000 1.239 248 Y CB 0.897 39.329 38.460 -0.047 0.000 1.170 248 Y HN -0.167 nan 8.280 nan 0.000 0.515 249 P HA 0.290 nan 4.420 nan 0.000 0.275 249 P C -1.121 176.112 177.300 -0.111 0.000 1.227 249 P CA -0.278 62.738 63.100 -0.141 0.000 0.781 249 P CB 1.350 32.924 31.700 -0.210 0.000 0.906 250 A N 2.333 125.095 122.820 -0.098 0.000 2.252 250 A HA 0.462 4.778 4.320 -0.006 0.000 0.305 250 A C 0.646 178.104 177.584 -0.211 0.000 1.097 250 A CA -0.477 51.307 52.037 -0.422 0.000 0.849 250 A CB -0.024 18.487 19.000 -0.815 0.000 1.142 250 A HN 0.591 nan 8.150 nan 0.000 0.499 251 S N -0.959 114.612 115.700 -0.215 0.000 2.525 251 S HA -0.078 4.389 4.470 -0.006 0.000 0.282 251 S C 0.795 175.346 174.600 -0.083 0.000 1.324 251 S CA 0.822 58.952 58.200 -0.116 0.000 1.025 251 S CB 0.001 63.064 63.200 -0.228 0.000 0.820 251 S HN 0.779 nan 8.310 nan 0.000 0.514 252 D N 2.286 122.665 120.400 -0.035 0.000 2.340 252 D HA 0.083 4.719 4.640 -0.006 0.000 0.220 252 D C 0.422 176.713 176.300 -0.015 0.000 1.039 252 D CA 0.003 53.997 54.000 -0.010 0.000 0.866 252 D CB -0.497 40.311 40.800 0.013 0.000 0.913 252 D HN 0.454 nan 8.370 nan 0.000 0.523 253 L N 1.312 122.494 121.223 -0.068 0.000 2.578 253 L HA -0.018 4.319 4.340 -0.006 0.000 0.279 253 L C 1.317 178.111 176.870 -0.128 0.000 1.227 253 L CA -0.544 54.198 54.840 -0.163 0.000 0.900 253 L CB 0.161 42.091 42.059 -0.215 0.000 1.144 253 L HN 0.113 nan 8.230 nan 0.000 0.496 254 F N 1.989 121.871 119.950 -0.114 0.000 2.234 254 F HA -0.057 4.466 4.527 -0.006 0.000 0.299 254 F C 1.933 177.693 175.800 -0.067 0.000 1.087 254 F CA 0.832 58.786 58.000 -0.077 0.000 1.340 254 F CB -0.695 38.201 39.000 -0.173 0.000 1.031 254 F HN 0.421 nan 8.300 nan 0.000 0.500 255 A N -0.811 121.716 122.820 -0.489 0.000 2.252 255 A HA 0.172 4.488 4.320 -0.006 0.000 0.207 255 A C -0.050 177.474 177.584 -0.099 0.000 1.194 255 A CA -0.026 51.873 52.037 -0.231 0.000 0.809 255 A CB -1.337 17.394 19.000 -0.447 0.000 0.814 255 A HN 0.431 nan 8.150 nan 0.000 0.482 256 F N -0.218 119.591 119.950 -0.235 0.000 2.507 256 F HA 0.702 5.225 4.527 -0.006 0.000 0.325 256 F C -0.868 174.777 175.800 -0.258 0.000 1.116 256 F CA -1.093 56.735 58.000 -0.287 0.000 0.930 256 F CB 1.220 39.985 39.000 -0.391 0.000 1.146 256 F HN -0.052 nan 8.300 nan 0.000 0.447 257 L N 4.494 125.340 121.223 -0.629 0.000 2.465 257 L HA 0.382 4.719 4.340 -0.006 0.000 0.257 257 L C -1.702 174.911 176.870 -0.428 0.000 0.988 257 L CA -0.807 53.811 54.840 -0.370 0.000 0.827 257 L CB 2.473 44.461 42.059 -0.118 0.000 1.397 257 L HN 0.536 nan 8.230 nan 0.000 0.410 258 W N 1.817 123.044 121.300 -0.122 0.000 2.336 258 W HA 0.685 5.342 4.660 -0.006 0.000 0.315 258 W C 0.205 176.704 176.519 -0.033 0.000 1.016 258 W CA -0.966 56.330 57.345 -0.081 0.000 1.318 258 W CB 1.492 30.970 29.460 0.029 0.000 1.247 258 W HN 0.541 nan 8.180 nan 0.000 0.414 259 G N 0.255 109.149 108.800 0.157 0.000 3.105 259 G HA2 0.479 4.435 3.960 -0.006 0.000 0.277 259 G HA3 0.479 4.435 3.960 -0.006 0.000 0.277 259 G C 0.685 175.630 174.900 0.075 0.000 1.375 259 G CA -0.147 45.020 45.100 0.111 0.000 0.962 259 G HN 0.391 nan 8.290 nan 0.000 0.541 260 G N -0.421 108.447 108.800 0.113 0.000 2.422 260 G HA2 0.301 4.258 3.960 -0.006 0.000 0.218 260 G HA3 0.301 4.258 3.960 -0.006 0.000 0.218 260 G C 0.915 175.743 174.900 -0.120 0.000 1.140 260 G CA 1.479 46.646 45.100 0.112 0.000 0.775 260 G HN 1.151 nan 8.290 nan 0.000 0.545 261 A N 0.469 123.105 122.820 -0.307 0.000 2.302 261 A HA 0.539 4.855 4.320 -0.006 0.000 0.295 261 A C -0.762 176.661 177.584 -0.267 0.000 1.235 261 A CA -0.374 51.325 52.037 -0.562 0.000 0.876 261 A CB 0.399 18.984 19.000 -0.692 0.000 1.133 261 A HN 0.192 nan 8.150 nan 0.000 0.533 262 D N 2.235 122.498 120.400 -0.229 0.000 2.990 262 D HA 0.159 4.796 4.640 -0.006 0.000 0.227 262 D C 1.049 177.245 176.300 -0.173 0.000 1.249 262 D CA -0.478 53.426 54.000 -0.159 0.000 0.891 262 D CB 1.310 42.058 40.800 -0.087 0.000 1.647 262 D HN 0.638 nan 8.370 nan 0.000 0.530 263 R N 1.952 122.312 120.500 -0.233 0.000 2.241 263 R HA -0.067 4.269 4.340 -0.006 0.000 0.224 263 R C 1.587 177.860 176.300 -0.045 0.000 1.101 263 R CA 0.694 56.627 56.100 -0.278 0.000 0.995 263 R CB -0.388 29.496 30.300 -0.694 0.000 0.870 263 R HN 0.217 nan 8.270 nan 0.000 0.463 264 V N 1.816 121.766 119.914 0.061 0.000 2.594 264 V HA -0.201 3.915 4.120 -0.006 0.000 0.253 264 V C 1.541 177.695 176.094 0.101 0.000 1.069 264 V CA 2.384 64.808 62.300 0.206 0.000 1.082 264 V CB -0.431 31.489 31.823 0.162 0.000 0.680 264 V HN 0.507 nan 8.190 nan 0.000 0.469 265 T N 0.120 114.682 114.554 0.013 0.000 2.778 265 T HA -0.194 4.153 4.350 -0.006 0.000 0.269 265 T C 1.727 176.409 174.700 -0.030 0.000 1.050 265 T CA 1.674 63.761 62.100 -0.021 0.000 1.137 265 T CB -0.301 68.528 68.868 -0.064 0.000 0.860 265 T HN 0.560 nan 8.240 nan 0.000 0.468 266 E N 0.740 120.935 120.200 -0.008 0.000 2.118 266 E HA -0.053 4.294 4.350 -0.006 0.000 0.195 266 E C 2.183 178.738 176.600 -0.074 0.000 0.992 266 E CA 0.845 57.231 56.400 -0.023 0.000 0.804 266 E CB -0.335 29.402 29.700 0.062 0.000 0.741 266 E HN 0.556 nan 8.360 nan 0.000 0.458 267 I N 1.240 121.780 120.570 -0.050 0.000 2.277 267 I HA -0.205 3.962 4.170 -0.006 0.000 0.243 267 I C 1.925 177.900 176.117 -0.237 0.000 1.094 267 I CA 0.808 61.963 61.300 -0.242 0.000 1.393 267 I CB -0.203 37.674 38.000 -0.205 0.000 1.078 267 I HN -0.091 nan 8.210 nan 0.000 0.417 268 D N 1.324 121.668 120.400 -0.093 0.000 2.133 268 D HA -0.202 4.434 4.640 -0.006 0.000 0.192 268 D C 2.265 178.480 176.300 -0.142 0.000 1.001 268 D CA 1.464 55.425 54.000 -0.066 0.000 0.844 268 D CB -0.322 40.500 40.800 0.038 0.000 0.944 268 D HN 0.346 nan 8.370 nan 0.000 0.447 269 R N 0.509 120.934 120.500 -0.125 0.000 2.097 269 R HA -0.123 4.213 4.340 -0.006 0.000 0.236 269 R C 2.714 178.899 176.300 -0.192 0.000 1.135 269 R CA 1.063 57.082 56.100 -0.135 0.000 0.934 269 R CB -0.781 29.444 30.300 -0.124 0.000 0.846 269 R HN 0.233 nan 8.270 nan 0.000 0.431 270 L N 0.820 121.895 121.223 -0.248 0.000 2.083 270 L HA -0.166 4.171 4.340 -0.006 0.000 0.209 270 L C 2.422 179.091 176.870 -0.336 0.000 1.083 270 L CA 1.162 55.826 54.840 -0.293 0.000 0.752 270 L CB -0.506 41.335 42.059 -0.363 0.000 0.899 270 L HN 0.200 nan 8.230 nan 0.000 0.433 271 L N -0.861 120.105 121.223 -0.428 0.000 2.240 271 L HA -0.100 4.236 4.340 -0.006 0.000 0.211 271 L C 2.251 178.871 176.870 -0.417 0.000 1.106 271 L CA 0.812 55.336 54.840 -0.527 0.000 0.793 271 L CB -0.330 41.182 42.059 -0.912 0.000 0.927 271 L HN 0.229 nan 8.230 nan 0.000 0.446 272 E N -0.253 119.764 120.200 -0.305 0.000 2.285 272 E HA -0.181 4.165 4.350 -0.006 0.000 0.194 272 E C 2.099 178.623 176.600 -0.126 0.000 0.997 272 E CA 0.233 56.536 56.400 -0.161 0.000 0.845 272 E CB 0.176 29.832 29.700 -0.074 0.000 0.782 272 E HN 0.408 nan 8.360 nan 0.000 0.491 273 Q N 0.581 120.292 119.800 -0.148 0.000 2.135 273 Q HA -0.093 4.243 4.340 -0.006 0.000 0.204 273 Q C 0.138 176.076 176.000 -0.104 0.000 0.981 273 Q CA 1.190 56.921 55.803 -0.120 0.000 0.856 273 Q CB 0.287 28.943 28.738 -0.137 0.000 0.902 273 Q HN -0.069 nan 8.270 nan 0.000 0.425 274 K N -0.771 119.559 120.400 -0.116 0.000 2.259 274 K HA 0.187 4.503 4.320 -0.006 0.000 0.252 274 K C -2.084 174.468 176.600 -0.080 0.000 0.936 274 K CA -1.997 54.234 56.287 -0.092 0.000 0.810 274 K CB 1.714 34.156 32.500 -0.097 0.000 1.143 274 K HN -0.170 nan 8.250 nan 0.000 0.427 275 P HA -0.088 nan 4.420 nan 0.000 0.216 275 P C -0.428 176.852 177.300 -0.034 0.000 1.153 275 P CA 1.143 64.220 63.100 -0.037 0.000 0.848 275 P CB 0.412 32.096 31.700 -0.027 0.000 0.787 276 R N -1.224 119.254 120.500 -0.037 0.000 2.795 276 R HA 0.636 4.973 4.340 -0.006 0.000 0.275 276 R C -1.039 175.237 176.300 -0.040 0.000 0.981 276 R CA -0.942 55.141 56.100 -0.029 0.000 0.917 276 R CB 1.599 31.890 30.300 -0.015 0.000 1.202 276 R HN -0.113 nan 8.270 nan 0.000 0.469 277 L N 0.179 121.382 121.223 -0.033 0.000 2.323 277 L HA 0.541 4.878 4.340 -0.006 0.000 0.265 277 L C 0.479 177.342 176.870 -0.011 0.000 1.012 277 L CA -0.548 54.271 54.840 -0.035 0.000 0.820 277 L CB 2.059 44.090 42.059 -0.048 0.000 1.334 277 L HN 0.776 nan 8.230 nan 0.000 0.427 278 T N -2.208 112.338 114.554 -0.013 0.000 2.923 278 T HA 0.624 4.970 4.350 -0.006 0.000 0.281 278 T C 1.096 175.800 174.700 0.007 0.000 0.995 278 T CA -0.105 61.993 62.100 -0.004 0.000 0.985 278 T CB 1.332 70.190 68.868 -0.016 0.000 1.114 278 T HN 0.599 nan 8.240 nan 0.000 0.548 279 A N 0.479 123.301 122.820 0.003 0.000 1.908 279 A HA -0.088 4.228 4.320 -0.006 0.000 0.218 279 A C 2.015 179.588 177.584 -0.018 0.000 1.181 279 A CA 1.742 53.777 52.037 -0.003 0.000 0.627 279 A CB -1.124 17.855 19.000 -0.035 0.000 0.818 279 A HN 0.895 nan 8.150 nan 0.000 0.445 280 D N -0.497 119.868 120.400 -0.057 0.000 2.144 280 D HA -0.138 4.498 4.640 -0.006 0.000 0.199 280 D C 2.223 178.529 176.300 0.010 0.000 0.984 280 D CA 1.449 55.416 54.000 -0.054 0.000 0.834 280 D CB -0.325 40.425 40.800 -0.085 0.000 0.955 280 D HN 0.651 nan 8.370 nan 0.000 0.465 281 Q N 0.289 120.085 119.800 -0.007 0.000 2.119 281 Q HA -0.013 4.323 4.340 -0.006 0.000 0.201 281 Q C 2.215 178.219 176.000 0.007 0.000 0.972 281 Q CA 1.231 57.022 55.803 -0.021 0.000 0.847 281 Q CB -0.063 28.646 28.738 -0.048 0.000 0.903 281 Q HN 0.184 nan 8.270 nan 0.000 0.433 282 A N 0.854 123.717 122.820 0.072 0.000 1.972 282 A HA -0.185 4.132 4.320 -0.006 0.000 0.219 282 A C 1.721 179.491 177.584 0.311 0.000 1.169 282 A CA 0.879 53.037 52.037 0.201 0.000 0.635 282 A CB -0.943 18.196 19.000 0.231 0.000 0.810 282 A HN 0.671 nan 8.150 nan 0.000 0.446 283 W N 0.771 122.081 121.300 0.015 0.000 2.381 283 W HA -0.153 4.503 4.660 -0.006 0.000 0.301 283 W C 1.259 177.768 176.519 -0.017 0.000 1.205 283 W CA 1.904 59.236 57.345 -0.021 0.000 1.285 283 W CB -0.288 29.078 29.460 -0.156 0.000 1.133 283 W HN 0.489 nan 8.180 nan 0.000 0.521 284 D N 0.112 120.536 120.400 0.039 0.000 2.309 284 D HA -0.153 4.484 4.640 -0.006 0.000 0.212 284 D C 2.050 178.216 176.300 -0.223 0.000 0.968 284 D CA 0.893 54.823 54.000 -0.118 0.000 0.882 284 D CB -0.010 40.739 40.800 -0.085 0.000 0.918 284 D HN -0.074 nan 8.370 nan 0.000 0.503 285 V N 0.318 120.105 119.914 -0.213 0.000 2.720 285 V HA -0.196 3.920 4.120 -0.006 0.000 0.256 285 V C 2.267 178.177 176.094 -0.305 0.000 1.082 285 V CA 0.940 63.005 62.300 -0.390 0.000 1.101 285 V CB -0.376 30.966 31.823 -0.801 0.000 0.693 285 V HN 0.327 nan 8.190 nan 0.000 0.479 286 I N -0.100 120.375 120.570 -0.158 0.000 2.202 286 I HA -0.234 3.933 4.170 -0.006 0.000 0.242 286 I C 2.718 178.661 176.117 -0.289 0.000 1.091 286 I CA 1.761 62.954 61.300 -0.178 0.000 1.368 286 I CB -0.411 37.331 38.000 -0.430 0.000 1.058 286 I HN 0.197 nan 8.210 nan 0.000 0.410 287 R N 0.954 121.131 120.500 -0.539 0.000 2.080 287 R HA -0.224 4.112 4.340 -0.006 0.000 0.236 287 R C 2.357 178.399 176.300 -0.431 0.000 1.137 287 R CA 1.845 57.444 56.100 -0.835 0.000 0.943 287 R CB -0.197 29.501 30.300 -1.004 0.000 0.846 287 R HN 0.406 nan 8.270 nan 0.000 0.431 288 Q N -0.326 119.273 119.800 -0.337 0.000 1.985 288 Q HA -0.191 4.146 4.340 -0.006 0.000 0.207 288 Q C 2.222 178.118 176.000 -0.172 0.000 0.996 288 Q CA 2.479 58.137 55.803 -0.242 0.000 0.851 288 Q CB -0.571 28.018 28.738 -0.249 0.000 0.921 288 Q HN 0.558 nan 8.270 nan 0.000 0.418 289 T N -1.297 113.150 114.554 -0.178 0.000 2.759 289 T HA -0.143 4.204 4.350 -0.006 0.000 0.269 289 T C 2.103 176.840 174.700 0.062 0.000 1.042 289 T CA 1.485 63.553 62.100 -0.053 0.000 1.140 289 T CB -0.427 68.347 68.868 -0.157 0.000 0.864 289 T HN 0.078 nan 8.240 nan 0.000 0.455 290 S N 1.389 117.098 115.700 0.016 0.000 2.387 290 S HA -0.064 4.402 4.470 -0.006 0.000 0.230 290 S C 2.039 176.710 174.600 0.117 0.000 1.035 290 S CA 1.290 59.545 58.200 0.092 0.000 1.014 290 S CB -0.266 63.002 63.200 0.115 0.000 0.836 290 S HN 0.600 nan 8.310 nan 0.000 0.466 291 R N -0.029 120.500 120.500 0.047 0.000 2.397 291 R HA 0.226 4.562 4.340 -0.006 0.000 0.241 291 R C 0.160 176.442 176.300 -0.029 0.000 0.914 291 R CA -0.125 56.000 56.100 0.042 0.000 1.071 291 R CB 0.299 30.603 30.300 0.007 0.000 1.116 291 R HN 0.152 nan 8.270 nan 0.000 0.524 292 Q N 2.016 121.799 119.800 -0.027 0.000 2.293 292 Q HA -0.011 4.326 4.340 -0.006 0.000 0.263 292 Q C -0.715 175.235 176.000 -0.084 0.000 1.002 292 Q CA 0.045 55.788 55.803 -0.101 0.000 0.910 292 Q CB 0.772 29.465 28.738 -0.075 0.000 1.185 292 Q HN 0.007 nan 8.270 nan 0.000 0.401 293 D N 4.176 124.476 120.400 -0.167 0.000 2.450 293 D HA -0.050 4.586 4.640 -0.006 0.000 0.247 293 D C 0.319 176.575 176.300 -0.073 0.000 1.162 293 D CA 0.229 54.194 54.000 -0.058 0.000 0.879 293 D CB 0.844 41.643 40.800 -0.001 0.000 1.163 293 D HN 0.762 nan 8.370 nan 0.000 0.472 294 L N 3.571 124.765 121.223 -0.048 0.000 2.341 294 L HA -0.011 4.325 4.340 -0.006 0.000 0.214 294 L C 1.984 178.839 176.870 -0.024 0.000 1.115 294 L CA 0.176 54.965 54.840 -0.086 0.000 0.820 294 L CB -0.230 41.735 42.059 -0.157 0.000 0.944 294 L HN 0.406 nan 8.230 nan 0.000 0.452 295 N N 0.134 118.898 118.700 0.107 0.000 2.415 295 N HA -0.059 4.678 4.740 -0.006 0.000 0.176 295 N C 1.844 177.513 175.510 0.266 0.000 1.042 295 N CA 0.469 53.682 53.050 0.272 0.000 0.902 295 N CB 0.257 39.041 38.487 0.495 0.000 0.986 295 N HN 0.158 nan 8.380 nan 0.000 0.447 296 L N 2.455 123.775 121.223 0.161 0.000 1.978 296 L HA -0.201 4.136 4.340 -0.006 0.000 0.218 296 L C 2.538 179.432 176.870 0.041 0.000 1.075 296 L CA 1.799 56.700 54.840 0.102 0.000 0.767 296 L CB -0.549 41.474 42.059 -0.061 0.000 0.890 296 L HN 0.043 nan 8.230 nan 0.000 0.434 297 R N -0.814 119.662 120.500 -0.041 0.000 2.105 297 R HA -0.173 4.164 4.340 -0.006 0.000 0.239 297 R C 2.263 178.519 176.300 -0.072 0.000 1.135 297 R CA 1.886 57.944 56.100 -0.069 0.000 0.967 297 R CB -0.337 29.899 30.300 -0.107 0.000 0.861 297 R HN 0.500 nan 8.270 nan 0.000 0.442 298 L N -0.811 120.327 121.223 -0.141 0.000 2.044 298 L HA -0.079 4.257 4.340 -0.006 0.000 0.205 298 L C 1.360 178.046 176.870 -0.307 0.000 1.075 298 L CA 1.196 55.829 54.840 -0.345 0.000 0.747 298 L CB -0.128 41.491 42.059 -0.732 0.000 0.903 298 L HN 0.178 nan 8.230 nan 0.000 0.435 299 F N -2.064 117.999 119.950 0.190 0.000 2.682 299 F HA 0.115 4.638 4.527 -0.006 0.000 0.308 299 F C 1.597 177.403 175.800 0.009 0.000 1.093 299 F CA -0.300 57.806 58.000 0.178 0.000 1.244 299 F CB 0.025 39.203 39.000 0.296 0.000 1.052 299 F HN -0.136 nan 8.300 nan 0.000 0.573 300 L N 2.214 123.511 121.223 0.123 0.000 2.017 300 L HA -0.002 4.335 4.340 -0.006 0.000 0.208 300 L C -0.685 176.198 176.870 0.021 0.000 1.073 300 L CA 2.199 57.061 54.840 0.037 0.000 0.745 300 L CB -1.567 40.508 42.059 0.027 0.000 0.894 300 L HN -0.124 nan 8.230 nan 0.000 0.432 301 P HA -0.151 nan 4.420 nan 0.000 0.216 301 P C 1.645 178.967 177.300 0.037 0.000 1.153 301 P CA 1.961 65.077 63.100 0.027 0.000 0.858 301 P CB -0.218 31.499 31.700 0.028 0.000 0.789 302 T N -0.431 114.174 114.554 0.085 0.000 2.746 302 T HA -0.080 4.267 4.350 -0.006 0.000 0.267 302 T C 1.730 176.465 174.700 0.057 0.000 1.039 302 T CA 1.097 63.266 62.100 0.115 0.000 1.142 302 T CB -0.866 68.169 68.868 0.278 0.000 0.866 302 T HN 0.047 nan 8.240 nan 0.000 0.444 303 L N 0.568 121.774 121.223 -0.027 0.000 2.093 303 L HA -0.096 4.241 4.340 -0.006 0.000 0.208 303 L C 2.835 179.664 176.870 -0.069 0.000 1.085 303 L CA 1.288 56.052 54.840 -0.127 0.000 0.755 303 L CB -0.501 41.383 42.059 -0.291 0.000 0.904 303 L HN 0.274 nan 8.230 nan 0.000 0.435 304 Q N -0.382 119.393 119.800 -0.042 0.000 2.083 304 Q HA -0.132 4.205 4.340 -0.006 0.000 0.198 304 Q C 2.473 178.459 176.000 -0.023 0.000 0.969 304 Q CA 1.448 57.231 55.803 -0.033 0.000 0.838 304 Q CB -0.202 28.523 28.738 -0.023 0.000 0.900 304 Q HN 0.559 nan 8.270 nan 0.000 0.436 305 A N 0.909 123.721 122.820 -0.012 0.000 1.898 305 A HA -0.047 4.270 4.320 -0.006 0.000 0.216 305 A C 2.229 179.806 177.584 -0.011 0.000 1.181 305 A CA 1.446 53.477 52.037 -0.010 0.000 0.620 305 A CB -0.623 18.374 19.000 -0.005 0.000 0.819 305 A HN 0.376 nan 8.150 nan 0.000 0.442 306 A N -0.468 122.350 122.820 -0.003 0.000 2.014 306 A HA 0.012 4.328 4.320 -0.006 0.000 0.218 306 A C 2.093 179.673 177.584 -0.007 0.000 1.163 306 A CA 2.053 54.092 52.037 0.004 0.000 0.652 306 A CB -0.811 18.210 19.000 0.035 0.000 0.808 306 A HN 0.736 nan 8.150 nan 0.000 0.449 307 T N -2.874 111.668 114.554 -0.021 0.000 3.092 307 T HA 0.114 4.461 4.350 -0.006 0.000 0.258 307 T C 1.588 176.268 174.700 -0.034 0.000 1.031 307 T CA 0.810 62.892 62.100 -0.031 0.000 0.925 307 T CB -0.115 68.725 68.868 -0.048 0.000 1.036 307 T HN 0.515 nan 8.240 nan 0.000 0.544 308 S N 1.306 116.989 115.700 -0.028 0.000 2.419 308 S HA 0.078 4.544 4.470 -0.006 0.000 0.233 308 S C 2.006 176.589 174.600 -0.028 0.000 1.016 308 S CA 0.895 59.078 58.200 -0.028 0.000 0.974 308 S CB -0.935 62.251 63.200 -0.024 0.000 0.786 308 S HN 0.611 nan 8.310 nan 0.000 0.492 309 G N 0.826 109.610 108.800 -0.026 0.000 3.371 309 G HA2 0.440 4.396 3.960 -0.006 0.000 0.248 309 G HA3 0.440 4.396 3.960 -0.006 0.000 0.248 309 G C 0.143 175.025 174.900 -0.029 0.000 1.161 309 G CA -0.498 44.587 45.100 -0.025 0.000 0.796 309 G HN 0.429 nan 8.290 nan 0.000 0.539 310 L N 1.461 122.663 121.223 -0.036 0.000 2.379 310 L HA 0.389 4.725 4.340 -0.006 0.000 0.269 310 L C 1.133 177.973 176.870 -0.049 0.000 1.084 310 L CA -0.769 54.045 54.840 -0.044 0.000 0.802 310 L CB 1.437 43.464 42.059 -0.053 0.000 1.175 310 L HN 0.142 nan 8.230 nan 0.000 0.448 311 T N -2.224 112.298 114.554 -0.053 0.000 2.828 311 T HA 0.014 4.361 4.350 -0.006 0.000 0.290 311 T C 0.719 175.376 174.700 -0.071 0.000 1.019 311 T CA -0.445 61.622 62.100 -0.055 0.000 1.031 311 T CB 1.298 70.136 68.868 -0.050 0.000 1.001 311 T HN 0.704 nan 8.240 nan 0.000 0.531 312 Q N 0.572 120.331 119.800 -0.067 0.000 2.226 312 Q HA -0.135 4.202 4.340 -0.006 0.000 0.204 312 Q C 1.913 177.856 176.000 -0.096 0.000 0.975 312 Q CA 1.671 57.428 55.803 -0.077 0.000 0.866 312 Q CB -0.303 28.398 28.738 -0.061 0.000 0.915 312 Q HN 0.907 nan 8.270 nan 0.000 0.440 313 S N -0.561 115.084 115.700 -0.091 0.000 2.575 313 S HA 0.017 4.484 4.470 -0.006 0.000 0.215 313 S C 0.215 174.725 174.600 -0.149 0.000 0.966 313 S CA -0.305 57.830 58.200 -0.107 0.000 0.911 313 S CB 0.251 63.406 63.200 -0.074 0.000 0.780 313 S HN 0.227 nan 8.310 nan 0.000 0.514 314 D N 3.202 123.511 120.400 -0.153 0.000 2.317 314 D HA 0.234 4.871 4.640 -0.006 0.000 0.252 314 D C -1.531 174.591 176.300 -0.298 0.000 1.174 314 D CA -2.083 51.802 54.000 -0.191 0.000 0.866 314 D CB 1.831 42.550 40.800 -0.136 0.000 1.127 314 D HN 0.061 nan 8.370 nan 0.000 0.467 315 P HA -0.110 nan 4.420 nan 0.000 0.218 315 P C 1.106 178.078 177.300 -0.548 0.000 1.149 315 P CA 0.921 63.520 63.100 -0.835 0.000 0.817 315 P CB 0.322 30.924 31.700 -1.830 0.000 0.785 316 R N -0.011 120.298 120.500 -0.318 0.000 2.105 316 R HA -0.118 4.219 4.340 -0.006 0.000 0.239 316 R C 2.616 178.846 176.300 -0.117 0.000 1.135 316 R CA 1.537 57.563 56.100 -0.123 0.000 0.967 316 R CB -0.666 29.604 30.300 -0.050 0.000 0.861 316 R HN 0.186 nan 8.270 nan 0.000 0.442 317 R N 1.269 121.682 120.500 -0.145 0.000 2.090 317 R HA -0.096 4.240 4.340 -0.006 0.000 0.228 317 R C 1.996 178.218 176.300 -0.130 0.000 1.110 317 R CA 1.301 57.330 56.100 -0.118 0.000 0.973 317 R CB 0.072 30.308 30.300 -0.106 0.000 0.869 317 R HN 0.297 nan 8.270 nan 0.000 0.440 318 Q N 0.537 120.230 119.800 -0.179 0.000 2.079 318 Q HA -0.140 4.197 4.340 -0.006 0.000 0.200 318 Q C 2.284 178.196 176.000 -0.147 0.000 0.974 318 Q CA 1.428 57.127 55.803 -0.175 0.000 0.840 318 Q CB -0.174 28.424 28.738 -0.233 0.000 0.898 318 Q HN 0.381 nan 8.270 nan 0.000 0.430 319 L N 0.409 121.560 121.223 -0.119 0.000 2.013 319 L HA -0.202 4.134 4.340 -0.006 0.000 0.212 319 L C 2.362 179.185 176.870 -0.077 0.000 1.073 319 L CA 0.992 55.797 54.840 -0.058 0.000 0.753 319 L CB -0.561 41.525 42.059 0.045 0.000 0.890 319 L HN 0.094 nan 8.230 nan 0.000 0.432 320 V N -0.520 119.342 119.914 -0.087 0.000 2.809 320 V HA -0.181 3.936 4.120 -0.006 0.000 0.256 320 V C 2.271 178.326 176.094 -0.065 0.000 1.080 320 V CA 1.371 63.619 62.300 -0.085 0.000 1.102 320 V CB -0.463 31.304 31.823 -0.094 0.000 0.705 320 V HN 0.464 nan 8.190 nan 0.000 0.475 321 E N 0.031 120.186 120.200 -0.075 0.000 2.112 321 E HA -0.128 4.219 4.350 -0.006 0.000 0.190 321 E C 2.278 178.843 176.600 -0.059 0.000 0.979 321 E CA 1.510 57.872 56.400 -0.062 0.000 0.814 321 E CB -0.267 29.390 29.700 -0.073 0.000 0.762 321 E HN 0.568 nan 8.360 nan 0.000 0.460 322 T N 2.323 116.823 114.554 -0.090 0.000 2.684 322 T HA -0.155 4.191 4.350 -0.006 0.000 0.267 322 T C 2.046 176.717 174.700 -0.048 0.000 1.036 322 T CA 0.984 63.020 62.100 -0.107 0.000 1.148 322 T CB -0.270 68.492 68.868 -0.177 0.000 0.863 322 T HN 0.100 nan 8.240 nan 0.000 0.436 323 L N 0.684 121.899 121.223 -0.013 0.000 2.083 323 L HA -0.112 4.225 4.340 -0.006 0.000 0.209 323 L C 2.860 179.811 176.870 0.136 0.000 1.083 323 L CA 1.211 56.117 54.840 0.109 0.000 0.752 323 L CB -1.178 40.932 42.059 0.085 0.000 0.899 323 L HN 0.282 nan 8.230 nan 0.000 0.433 324 T N -0.904 113.681 114.554 0.052 0.000 2.915 324 T HA -0.112 4.235 4.350 -0.006 0.000 0.269 324 T C 1.968 176.697 174.700 0.050 0.000 1.071 324 T CA 0.960 63.082 62.100 0.037 0.000 1.132 324 T CB -0.117 68.751 68.868 -0.000 0.000 0.878 324 T HN 0.271 nan 8.240 nan 0.000 0.479 325 R N -0.932 119.604 120.500 0.061 0.000 2.276 325 R HA 0.077 4.414 4.340 -0.006 0.000 0.196 325 R C 0.220 176.605 176.300 0.141 0.000 0.961 325 R CA -0.074 56.064 56.100 0.063 0.000 1.024 325 R CB 0.198 30.514 30.300 0.026 0.000 0.940 325 R HN 0.298 nan 8.270 nan 0.000 0.480 326 W N 2.244 123.514 121.300 -0.051 0.000 2.381 326 W HA 0.067 4.724 4.660 -0.006 0.000 0.329 326 W C 0.260 176.747 176.519 -0.053 0.000 1.157 326 W CA -1.353 55.960 57.345 -0.052 0.000 1.240 326 W CB 0.954 30.382 29.460 -0.054 0.000 1.199 326 W HN 0.063 nan 8.180 nan 0.000 0.579 327 D N 1.284 121.570 120.400 -0.190 0.000 2.349 327 D HA 0.176 4.813 4.640 -0.006 0.000 0.214 327 D C 1.553 177.412 176.300 -0.735 0.000 1.063 327 D CA 0.579 54.372 54.000 -0.344 0.000 0.847 327 D CB -0.040 40.632 40.800 -0.213 0.000 0.933 327 D HN 0.707 nan 8.370 nan 0.000 0.513 328 G N 0.153 107.927 108.800 -1.709 0.000 2.194 328 G HA2 -0.225 3.732 3.960 -0.006 0.000 0.236 328 G HA3 -0.225 3.732 3.960 -0.006 0.000 0.236 328 G C -0.062 174.184 174.900 -1.089 0.000 0.987 328 G CA 0.033 43.967 45.100 -1.942 0.000 0.635 328 G HN 0.292 nan 8.290 nan 0.000 0.520 329 I N 2.195 122.378 120.570 -0.646 0.000 2.379 329 I HA 0.235 4.401 4.170 -0.006 0.000 0.290 329 I C 0.257 176.332 176.117 -0.070 0.000 1.063 329 I CA -0.994 60.147 61.300 -0.264 0.000 1.351 329 I CB 0.208 38.105 38.000 -0.172 0.000 1.410 329 I HN 0.052 nan 8.210 nan 0.000 0.505 330 N N 7.333 125.964 118.700 -0.114 0.000 2.530 330 N HA 0.488 5.225 4.740 -0.006 0.000 0.273 330 N C -0.560 174.929 175.510 -0.035 0.000 1.173 330 N CA -0.171 52.735 53.050 -0.241 0.000 0.967 330 N CB 1.723 39.655 38.487 -0.924 0.000 1.109 330 N HN 0.424 nan 8.380 nan 0.000 0.453 331 L N 1.810 123.089 121.223 0.093 0.000 2.422 331 L HA 0.444 4.780 4.340 -0.006 0.000 0.264 331 L C -0.182 176.910 176.870 0.370 0.000 0.984 331 L CA -0.690 54.280 54.840 0.217 0.000 0.819 331 L CB 2.248 44.393 42.059 0.144 0.000 1.330 331 L HN 0.226 nan 8.230 nan 0.000 0.410 332 L N 2.368 123.792 121.223 0.334 0.000 2.417 332 L HA 0.236 4.573 4.340 -0.006 0.000 0.268 332 L C 0.552 177.531 176.870 0.181 0.000 1.158 332 L CA -0.283 54.728 54.840 0.284 0.000 0.819 332 L CB 0.541 42.705 42.059 0.176 0.000 1.112 332 L HN 0.641 nan 8.230 nan 0.000 0.458 333 N N 0.941 119.725 118.700 0.140 0.000 2.285 333 N HA -0.028 4.709 4.740 -0.006 0.000 0.262 333 N C 0.389 175.940 175.510 0.068 0.000 1.299 333 N CA -0.257 52.848 53.050 0.091 0.000 0.930 333 N CB 0.367 38.894 38.487 0.067 0.000 1.157 333 N HN 0.496 nan 8.380 nan 0.000 0.532 334 D N -0.178 120.253 120.400 0.051 0.000 2.347 334 D HA -0.105 4.531 4.640 -0.006 0.000 0.215 334 D C 0.737 177.056 176.300 0.030 0.000 0.976 334 D CA 0.622 54.647 54.000 0.041 0.000 0.884 334 D CB -0.175 40.645 40.800 0.033 0.000 0.915 334 D HN 0.557 nan 8.370 nan 0.000 0.526 335 D N 0.134 120.549 120.400 0.026 0.000 2.371 335 D HA -0.019 4.618 4.640 -0.006 0.000 0.221 335 D C 1.669 177.973 176.300 0.007 0.000 0.986 335 D CA 0.860 54.868 54.000 0.013 0.000 0.899 335 D CB -0.575 40.230 40.800 0.008 0.000 0.902 335 D HN 0.169 nan 8.370 nan 0.000 0.530 336 G N 1.165 109.974 108.800 0.014 0.000 2.168 336 G HA2 -0.381 3.576 3.960 -0.006 0.000 0.257 336 G HA3 -0.381 3.576 3.960 -0.006 0.000 0.257 336 G C 0.746 175.629 174.900 -0.028 0.000 0.997 336 G CA 0.915 46.018 45.100 0.006 0.000 0.708 336 G HN 0.638 nan 8.290 nan 0.000 0.520 337 K N -1.356 119.016 120.400 -0.046 0.000 2.588 337 K HA 0.299 4.615 4.320 -0.006 0.000 0.216 337 K C 0.520 177.033 176.600 -0.145 0.000 1.382 337 K CA 0.544 56.774 56.287 -0.096 0.000 1.008 337 K CB 0.595 33.050 32.500 -0.074 0.000 1.138 337 K HN 0.691 nan 8.250 nan 0.000 0.619 338 T N -2.146 112.352 114.554 -0.094 0.000 2.907 338 T HA 0.445 4.791 4.350 -0.006 0.000 0.292 338 T C -0.946 173.771 174.700 0.029 0.000 1.043 338 T CA -0.747 61.304 62.100 -0.083 0.000 1.003 338 T CB 1.419 70.277 68.868 -0.016 0.000 1.084 338 T HN 0.130 nan 8.240 nan 0.000 0.483 339 W N 1.357 122.666 121.300 0.016 0.000 2.237 339 W HA 0.352 5.008 4.660 -0.006 0.000 0.335 339 W C 1.604 178.122 176.519 -0.002 0.000 1.230 339 W CA -0.890 56.472 57.345 0.029 0.000 1.253 339 W CB 0.744 30.231 29.460 0.045 0.000 1.129 339 W HN 0.932 nan 8.180 nan 0.000 0.590 340 Q N 0.298 120.252 119.800 0.257 0.000 2.172 340 Q HA -0.127 4.209 4.340 -0.006 0.000 0.200 340 Q C 0.266 176.279 176.000 0.021 0.000 0.964 340 Q CA 1.071 56.945 55.803 0.118 0.000 0.855 340 Q CB 0.306 29.110 28.738 0.111 0.000 0.918 340 Q HN 0.257 nan 8.270 nan 0.000 0.444 341 Q N -0.526 119.237 119.800 -0.063 0.000 2.375 341 Q HA 0.230 4.567 4.340 -0.006 0.000 0.271 341 Q C -2.144 173.662 176.000 -0.325 0.000 1.074 341 Q CA -1.948 53.684 55.803 -0.284 0.000 0.808 341 Q CB 1.528 29.884 28.738 -0.637 0.000 1.327 341 Q HN -0.016 nan 8.270 nan 0.000 0.441 342 P HA 0.036 nan 4.420 nan 0.000 0.255 342 P C 0.898 178.033 177.300 -0.276 0.000 1.301 342 P CA 0.275 63.285 63.100 -0.149 0.000 0.817 342 P CB 0.161 31.919 31.700 0.097 0.000 1.259 343 G N 1.214 109.571 108.800 -0.739 0.000 2.476 343 G HA2 -0.276 3.680 3.960 -0.006 0.000 0.218 343 G HA3 -0.276 3.680 3.960 -0.006 0.000 0.218 343 G C 1.651 176.414 174.900 -0.229 0.000 1.164 343 G CA 0.874 45.495 45.100 -0.798 0.000 0.768 343 G HN 0.261 nan 8.290 nan 0.000 0.560 344 S N 0.930 116.564 115.700 -0.111 0.000 2.383 344 S HA 0.079 4.545 4.470 -0.006 0.000 0.227 344 S C 2.749 177.262 174.600 -0.145 0.000 1.026 344 S CA 1.053 59.280 58.200 0.045 0.000 0.981 344 S CB -0.289 63.036 63.200 0.207 0.000 0.818 344 S HN 0.606 nan 8.310 nan 0.000 0.472 345 A N 1.454 124.255 122.820 -0.031 0.000 1.930 345 A HA -0.010 4.307 4.320 -0.006 0.000 0.217 345 A C 2.032 179.609 177.584 -0.012 0.000 1.175 345 A CA 1.034 53.053 52.037 -0.030 0.000 0.627 345 A CB -0.635 18.387 19.000 0.037 0.000 0.815 345 A HN 0.476 nan 8.150 nan 0.000 0.443 346 I N -0.360 120.236 120.570 0.044 0.000 2.179 346 I HA -0.256 3.910 4.170 -0.006 0.000 0.242 346 I C 2.322 178.515 176.117 0.126 0.000 1.088 346 I CA 1.152 62.522 61.300 0.117 0.000 1.357 346 I CB -0.363 37.703 38.000 0.110 0.000 1.051 346 I HN 0.274 nan 8.210 nan 0.000 0.409 347 L N 0.446 121.721 121.223 0.087 0.000 2.079 347 L HA -0.259 4.077 4.340 -0.006 0.000 0.210 347 L C 2.371 179.317 176.870 0.127 0.000 1.081 347 L CA 1.655 56.609 54.840 0.189 0.000 0.752 347 L CB -0.902 41.323 42.059 0.276 0.000 0.896 347 L HN 0.429 nan 8.230 nan 0.000 0.433 348 N N 0.186 118.751 118.700 -0.224 0.000 2.058 348 N HA -0.171 4.565 4.740 -0.006 0.000 0.191 348 N C 1.840 177.357 175.510 0.011 0.000 1.037 348 N CA 1.613 54.511 53.050 -0.252 0.000 0.848 348 N CB 0.121 38.303 38.487 -0.507 0.000 1.021 348 N HN 0.066 nan 8.380 nan 0.000 0.422 349 V N 0.062 120.000 119.914 0.040 0.000 2.427 349 V HA -0.180 3.936 4.120 -0.006 0.000 0.248 349 V C 1.932 178.109 176.094 0.137 0.000 1.051 349 V CA 1.631 63.979 62.300 0.081 0.000 1.048 349 V CB -0.883 30.990 31.823 0.084 0.000 0.666 349 V HN 0.520 nan 8.190 nan 0.000 0.456 350 W N 0.342 121.651 121.300 0.016 0.000 2.333 350 W HA -0.216 4.440 4.660 -0.006 0.000 0.316 350 W C 2.124 178.635 176.519 -0.014 0.000 1.215 350 W CA 1.577 58.933 57.345 0.018 0.000 1.278 350 W CB -0.451 29.025 29.460 0.027 0.000 1.154 350 W HN 0.150 nan 8.180 nan 0.000 0.486 351 L N 0.640 121.849 121.223 -0.024 0.000 2.083 351 L HA -0.161 4.176 4.340 -0.006 0.000 0.209 351 L C 2.447 179.188 176.870 -0.215 0.000 1.083 351 L CA 2.497 57.170 54.840 -0.277 0.000 0.752 351 L CB -1.504 40.561 42.059 0.009 0.000 0.899 351 L HN -0.006 nan 8.230 nan 0.000 0.433 352 T N -1.902 112.607 114.554 -0.076 0.000 2.746 352 T HA -0.188 4.159 4.350 -0.006 0.000 0.267 352 T C 2.115 176.753 174.700 -0.103 0.000 1.039 352 T CA 1.622 63.692 62.100 -0.051 0.000 1.142 352 T CB -0.270 68.600 68.868 0.002 0.000 0.866 352 T HN 0.379 nan 8.240 nan 0.000 0.444 353 S N 0.412 116.031 115.700 -0.135 0.000 2.383 353 S HA -0.053 4.414 4.470 -0.006 0.000 0.227 353 S C 2.135 176.597 174.600 -0.230 0.000 1.026 353 S CA 0.743 58.858 58.200 -0.141 0.000 0.981 353 S CB -0.328 62.818 63.200 -0.090 0.000 0.818 353 S HN 0.188 nan 8.310 nan 0.000 0.472 354 M N 0.903 120.245 119.600 -0.431 0.000 2.159 354 M HA 0.029 4.506 4.480 -0.006 0.000 0.263 354 M C 2.092 178.212 176.300 -0.300 0.000 1.063 354 M CA 1.222 56.236 55.300 -0.476 0.000 1.110 354 M CB -1.352 30.687 32.600 -0.934 0.000 1.374 354 M HN 0.373 nan 8.290 nan 0.000 0.411 355 L N -0.423 120.653 121.223 -0.244 0.000 2.109 355 L HA -0.191 4.145 4.340 -0.006 0.000 0.207 355 L C 2.499 179.309 176.870 -0.099 0.000 1.086 355 L CA 1.103 55.859 54.840 -0.139 0.000 0.760 355 L CB -0.628 41.393 42.059 -0.063 0.000 0.910 355 L HN 0.285 nan 8.230 nan 0.000 0.437 356 K N 0.550 120.896 120.400 -0.089 0.000 2.209 356 K HA -0.157 4.159 4.320 -0.006 0.000 0.204 356 K C 2.120 178.678 176.600 -0.070 0.000 1.048 356 K CA 1.228 57.479 56.287 -0.060 0.000 0.940 356 K CB 0.102 32.573 32.500 -0.048 0.000 0.729 356 K HN 0.218 nan 8.250 nan 0.000 0.451 357 R N -0.331 120.114 120.500 -0.092 0.000 2.246 357 R HA 0.002 4.338 4.340 -0.006 0.000 0.199 357 R C 1.822 178.057 176.300 -0.108 0.000 0.984 357 R CA 1.356 57.410 56.100 -0.077 0.000 1.015 357 R CB 0.271 30.536 30.300 -0.057 0.000 0.930 357 R HN 0.423 nan 8.270 nan 0.000 0.475 358 T N -3.068 111.390 114.554 -0.161 0.000 3.479 358 T HA 0.083 4.430 4.350 -0.006 0.000 0.197 358 T C 1.837 176.418 174.700 -0.199 0.000 0.912 358 T CA 0.162 62.116 62.100 -0.244 0.000 1.281 358 T CB -0.623 68.014 68.868 -0.385 0.000 1.588 358 T HN -0.149 nan 8.240 nan 0.000 0.389 359 V N 2.228 122.034 119.914 -0.180 0.000 2.295 359 V HA -0.117 3.999 4.120 -0.006 0.000 0.246 359 V C 2.972 178.997 176.094 -0.114 0.000 1.049 359 V CA 1.649 63.852 62.300 -0.162 0.000 1.024 359 V CB -1.130 30.619 31.823 -0.123 0.000 0.648 359 V HN 0.423 nan 8.190 nan 0.000 0.447 360 V N 0.561 120.446 119.914 -0.048 0.000 2.332 360 V HA -0.291 3.825 4.120 -0.006 0.000 0.248 360 V C 2.774 178.844 176.094 -0.040 0.000 1.055 360 V CA 2.199 64.496 62.300 -0.006 0.000 1.038 360 V CB -1.204 30.623 31.823 0.006 0.000 0.651 360 V HN 0.571 nan 8.190 nan 0.000 0.450 361 A N -0.236 122.547 122.820 -0.062 0.000 1.972 361 A HA -0.051 4.265 4.320 -0.006 0.000 0.219 361 A C 2.284 179.829 177.584 -0.066 0.000 1.169 361 A CA 1.858 53.860 52.037 -0.059 0.000 0.635 361 A CB -0.582 18.381 19.000 -0.061 0.000 0.810 361 A HN 0.601 nan 8.150 nan 0.000 0.446 362 A N -0.893 121.873 122.820 -0.089 0.000 2.167 362 A HA 0.397 4.713 4.320 -0.006 0.000 0.214 362 A C 0.684 178.215 177.584 -0.087 0.000 1.151 362 A CA 0.539 52.521 52.037 -0.092 0.000 0.735 362 A CB -0.235 18.693 19.000 -0.120 0.000 0.802 362 A HN 0.276 nan 8.150 nan 0.000 0.467 363 V N 2.148 122.015 119.914 -0.078 0.000 2.394 363 V HA 0.310 4.427 4.120 -0.006 0.000 0.282 363 V C -2.448 173.636 176.094 -0.016 0.000 1.031 363 V CA -1.985 60.283 62.300 -0.054 0.000 0.881 363 V CB 1.300 33.099 31.823 -0.040 0.000 0.982 363 V HN 0.199 nan 8.190 nan 0.000 0.451 364 P HA 0.205 nan 4.420 nan 0.000 0.271 364 P C -0.237 177.083 177.300 0.034 0.000 1.216 364 P CA -0.255 62.863 63.100 0.030 0.000 0.776 364 P CB 0.457 32.191 31.700 0.057 0.000 0.881 365 M N 4.967 124.534 119.600 -0.056 0.000 2.245 365 M HA 0.101 4.577 4.480 -0.006 0.000 0.344 365 M C -1.285 174.842 176.300 -0.289 0.000 1.170 365 M CA -0.799 54.397 55.300 -0.172 0.000 1.135 365 M CB 0.501 33.022 32.600 -0.131 0.000 1.574 365 M HN 0.304 nan 8.290 nan 0.000 0.452 366 P HA 0.161 nan 4.420 nan 0.000 0.266 366 P C 0.030 176.778 177.300 -0.920 0.000 1.561 366 P CA 0.255 62.973 63.100 -0.636 0.000 1.089 366 P CB -0.040 31.334 31.700 -0.544 0.000 1.534 367 F N 1.674 121.296 119.950 -0.547 0.000 2.661 367 F HA -0.073 4.450 4.527 -0.006 0.000 0.298 367 F C 2.152 177.618 175.800 -0.556 0.000 1.137 367 F CA 0.803 58.203 58.000 -0.999 0.000 1.454 367 F CB -0.774 37.650 39.000 -0.961 0.000 1.103 367 F HN 0.015 nan 8.300 nan 0.000 0.577 368 D N 0.572 120.877 120.400 -0.157 0.000 2.149 368 D HA -0.218 4.419 4.640 -0.006 0.000 0.198 368 D C 1.715 178.039 176.300 0.039 0.000 0.990 368 D CA 1.047 55.056 54.000 0.014 0.000 0.839 368 D CB -0.367 40.421 40.800 -0.020 0.000 0.948 368 D HN 0.074 nan 8.370 nan 0.000 0.460 369 K N 0.049 120.416 120.400 -0.056 0.000 2.281 369 K HA -0.099 4.218 4.320 -0.006 0.000 0.203 369 K C 1.662 178.347 176.600 0.142 0.000 1.046 369 K CA 0.465 56.765 56.287 0.023 0.000 0.938 369 K CB -0.642 31.853 32.500 -0.008 0.000 0.737 369 K HN 0.378 nan 8.250 nan 0.000 0.458 370 W N -0.723 120.485 121.300 -0.152 0.000 2.465 370 W HA -0.059 4.597 4.660 -0.006 0.000 0.268 370 W C 0.696 176.950 176.519 -0.442 0.000 1.242 370 W CA 0.547 57.688 57.345 -0.340 0.000 1.248 370 W CB -0.684 28.306 29.460 -0.783 0.000 1.118 370 W HN 0.109 nan 8.180 nan 0.000 0.587 371 Y N -0.231 120.217 120.300 0.246 0.000 2.660 371 Y HA 0.087 4.634 4.550 -0.006 0.000 0.254 371 Y C 1.949 177.903 175.900 0.090 0.000 1.176 371 Y CA 0.322 58.520 58.100 0.164 0.000 1.195 371 Y CB -0.503 38.027 38.460 0.116 0.000 1.190 371 Y HN -0.138 nan 8.280 nan 0.000 0.535 372 S N -0.915 114.887 115.700 0.170 0.000 2.548 372 S HA 0.397 4.863 4.470 -0.006 0.000 0.215 372 S C 1.072 175.723 174.600 0.086 0.000 0.976 372 S CA -0.087 58.176 58.200 0.104 0.000 0.908 372 S CB 0.015 63.258 63.200 0.071 0.000 0.781 372 S HN 0.200 nan 8.310 nan 0.000 0.519 373 A N 2.165 125.043 122.820 0.097 0.000 2.388 373 A HA 0.592 4.909 4.320 -0.006 0.000 0.257 373 A C 1.283 178.925 177.584 0.096 0.000 1.095 373 A CA -0.050 52.040 52.037 0.088 0.000 0.791 373 A CB 0.472 19.519 19.000 0.079 0.000 1.029 373 A HN 0.453 nan 8.150 nan 0.000 0.489 374 S N 1.438 117.212 115.700 0.123 0.000 2.478 374 S HA 0.365 4.832 4.470 -0.006 0.000 0.222 374 S C 1.309 176.006 174.600 0.162 0.000 1.008 374 S CA 0.871 59.178 58.200 0.177 0.000 0.928 374 S CB 0.040 63.399 63.200 0.265 0.000 0.781 374 S HN 2.529 nan 8.310 nan 0.000 0.518 375 G N -0.085 108.772 108.800 0.094 0.000 2.163 375 G HA2 -0.234 3.723 3.960 -0.006 0.000 0.213 375 G HA3 -0.234 3.723 3.960 -0.006 0.000 0.213 375 G C 0.208 175.025 174.900 -0.139 0.000 0.991 375 G CA 0.220 45.291 45.100 -0.049 0.000 0.653 375 G HN 0.549 nan 8.290 nan 0.000 0.518 376 Y N 0.662 121.001 120.300 0.064 0.000 2.481 376 Y HA 0.418 4.965 4.550 -0.006 0.000 0.247 376 Y C 1.124 177.050 175.900 0.044 0.000 1.151 376 Y CA -0.211 57.932 58.100 0.072 0.000 1.238 376 Y CB 0.611 39.137 38.460 0.110 0.000 1.179 376 Y HN 0.251 nan 8.280 nan 0.000 0.524 377 E N 1.301 121.595 120.200 0.156 0.000 2.480 377 E HA 0.180 4.526 4.350 -0.006 0.000 0.258 377 E C 0.575 177.209 176.600 0.057 0.000 0.984 377 E CA 0.489 56.949 56.400 0.099 0.000 0.930 377 E CB 0.442 30.189 29.700 0.077 0.000 0.936 377 E HN 0.298 nan 8.360 nan 0.000 0.466 378 T N -0.693 113.887 114.554 0.044 0.000 2.681 378 T HA 0.720 5.067 4.350 -0.006 0.000 0.296 378 T C 0.001 174.711 174.700 0.017 0.000 1.157 378 T CA -0.486 61.622 62.100 0.014 0.000 1.025 378 T CB 1.491 70.342 68.868 -0.027 0.000 1.441 378 T HN 0.423 nan 8.240 nan 0.000 0.504 379 T N -2.184 112.377 114.554 0.011 0.000 2.718 379 T HA 0.447 4.793 4.350 -0.006 0.000 0.267 379 T C 1.051 175.751 174.700 -0.001 0.000 0.957 379 T CA -0.698 61.409 62.100 0.012 0.000 1.025 379 T CB 1.040 69.924 68.868 0.027 0.000 1.355 379 T HN 0.630 nan 8.240 nan 0.000 0.572 380 Q N -0.108 119.694 119.800 0.003 0.000 2.167 380 Q HA -0.132 4.205 4.340 -0.006 0.000 0.202 380 Q C 1.114 177.122 176.000 0.013 0.000 0.970 380 Q CA 1.501 57.300 55.803 -0.007 0.000 0.855 380 Q CB -0.221 28.511 28.738 -0.010 0.000 0.911 380 Q HN 0.576 nan 8.270 nan 0.000 0.438 381 D N -0.486 119.941 120.400 0.046 0.000 2.348 381 D HA 0.062 4.699 4.640 -0.006 0.000 0.216 381 D C 0.807 177.133 176.300 0.042 0.000 0.970 381 D CA 1.021 55.071 54.000 0.083 0.000 0.889 381 D CB 0.241 41.105 40.800 0.106 0.000 0.912 381 D HN 0.391 nan 8.370 nan 0.000 0.524 382 G N 0.979 109.782 108.800 0.006 0.000 2.710 382 G HA2 -0.173 3.784 3.960 -0.006 0.000 0.668 382 G HA3 -0.173 3.784 3.960 -0.006 0.000 0.668 382 G C -2.665 172.220 174.900 -0.025 0.000 1.320 382 G CA -1.131 43.946 45.100 -0.038 0.000 0.860 382 G HN -0.062 nan 8.290 nan 0.000 0.538 383 P HA 0.171 nan 4.420 nan 0.000 0.266 383 P C 1.294 178.697 177.300 0.172 0.000 1.193 383 P CA 0.895 63.989 63.100 -0.010 0.000 0.770 383 P CB 0.423 32.029 31.700 -0.158 0.000 0.836 384 T N -0.739 113.926 114.554 0.185 0.000 3.081 384 T HA 0.302 4.648 4.350 -0.006 0.000 0.255 384 T C 0.897 175.761 174.700 0.273 0.000 1.113 384 T CA 0.713 62.945 62.100 0.220 0.000 1.082 384 T CB -0.270 68.696 68.868 0.163 0.000 0.939 384 T HN 0.514 nan 8.240 nan 0.000 0.506 385 G N 1.137 110.129 108.800 0.320 0.000 2.896 385 G HA2 0.498 4.455 3.960 -0.006 0.000 0.247 385 G HA3 0.498 4.455 3.960 -0.006 0.000 0.247 385 G C -0.654 174.499 174.900 0.423 0.000 1.187 385 G CA -0.185 45.059 45.100 0.241 0.000 0.837 385 G HN 0.511 nan 8.290 nan 0.000 0.559 386 S N -0.646 115.219 115.700 0.275 0.000 2.593 386 S HA 0.521 4.987 4.470 -0.006 0.000 0.269 386 S C -0.146 174.607 174.600 0.254 0.000 1.334 386 S CA -0.275 58.139 58.200 0.357 0.000 1.015 386 S CB 1.020 64.386 63.200 0.276 0.000 0.912 386 S HN 0.476 nan 8.310 nan 0.000 0.541 387 L N 2.966 124.345 121.223 0.260 0.000 2.326 387 L HA 0.567 4.904 4.340 -0.006 0.000 0.278 387 L C 0.341 177.157 176.870 -0.091 0.000 1.092 387 L CA 0.361 55.239 54.840 0.063 0.000 0.810 387 L CB 0.793 42.909 42.059 0.095 0.000 1.153 387 L HN 0.880 nan 8.230 nan 0.000 0.439 388 N N 2.129 120.739 118.700 -0.150 0.000 2.831 388 N HA 0.483 5.219 4.740 -0.006 0.000 0.276 388 N C -1.070 174.316 175.510 -0.207 0.000 1.416 388 N CA -0.613 52.297 53.050 -0.233 0.000 0.799 388 N CB 1.466 39.832 38.487 -0.201 0.000 1.554 388 N HN 0.341 nan 8.380 nan 0.000 0.541 389 I N 1.286 121.736 120.570 -0.199 0.000 2.416 389 I HA 0.113 4.279 4.170 -0.006 0.000 0.288 389 I C 1.081 177.148 176.117 -0.082 0.000 1.051 389 I CA -0.251 60.977 61.300 -0.120 0.000 1.375 389 I CB 0.805 38.736 38.000 -0.115 0.000 1.407 389 I HN 0.479 nan 8.210 nan 0.000 0.516 390 S N 5.424 121.108 115.700 -0.027 0.000 2.576 390 S HA 0.092 4.559 4.470 -0.006 0.000 0.272 390 S C 1.401 176.025 174.600 0.039 0.000 1.352 390 S CA -0.673 57.530 58.200 0.004 0.000 1.021 390 S CB 1.180 64.408 63.200 0.046 0.000 0.887 390 S HN 0.451 nan 8.310 nan 0.000 0.542 391 V N 1.909 121.857 119.914 0.057 0.000 2.255 391 V HA -0.025 4.091 4.120 -0.006 0.000 0.247 391 V C 2.821 179.040 176.094 0.208 0.000 1.051 391 V CA 2.019 64.390 62.300 0.118 0.000 1.018 391 V CB -2.330 29.620 31.823 0.211 0.000 0.641 391 V HN 1.008 nan 8.190 nan 0.000 0.445 392 G N 0.166 109.120 108.800 0.256 0.000 2.476 392 G HA2 -0.245 3.711 3.960 -0.006 0.000 0.218 392 G HA3 -0.245 3.711 3.960 -0.006 0.000 0.218 392 G C 1.718 176.719 174.900 0.168 0.000 1.164 392 G CA 1.556 46.801 45.100 0.242 0.000 0.768 392 G HN 0.798 nan 8.290 nan 0.000 0.560 393 A N 0.390 123.313 122.820 0.172 0.000 1.969 393 A HA 0.059 4.376 4.320 -0.006 0.000 0.218 393 A C 2.309 180.089 177.584 0.327 0.000 1.169 393 A CA 1.891 54.089 52.037 0.269 0.000 0.635 393 A CB -0.262 18.911 19.000 0.289 0.000 0.810 393 A HN 0.411 nan 8.150 nan 0.000 0.445 394 K N -0.484 120.033 120.400 0.195 0.000 2.103 394 K HA 0.084 4.401 4.320 -0.006 0.000 0.204 394 K C 1.674 178.394 176.600 0.201 0.000 1.052 394 K CA 1.183 57.567 56.287 0.161 0.000 0.945 394 K CB -0.239 32.298 32.500 0.062 0.000 0.722 394 K HN 0.502 nan 8.250 nan 0.000 0.443 395 I N 0.893 121.561 120.570 0.163 0.000 2.315 395 I HA -0.243 3.923 4.170 -0.006 0.000 0.248 395 I C 2.222 178.412 176.117 0.121 0.000 1.117 395 I CA 0.639 62.007 61.300 0.113 0.000 1.404 395 I CB -0.101 37.931 38.000 0.053 0.000 1.071 395 I HN 0.114 nan 8.210 nan 0.000 0.419 396 L N 0.048 121.369 121.223 0.164 0.000 2.141 396 L HA -0.247 4.089 4.340 -0.006 0.000 0.209 396 L C 2.430 179.511 176.870 0.352 0.000 1.094 396 L CA 1.768 56.718 54.840 0.184 0.000 0.763 396 L CB -0.833 41.312 42.059 0.143 0.000 0.908 396 L HN 0.237 nan 8.230 nan 0.000 0.437 397 Y N 0.189 120.662 120.300 0.289 0.000 2.242 397 Y HA -0.183 4.364 4.550 -0.006 0.000 0.291 397 Y C 2.336 178.307 175.900 0.119 0.000 1.137 397 Y CA 1.837 60.048 58.100 0.184 0.000 1.181 397 Y CB 0.029 38.484 38.460 -0.008 0.000 0.989 397 Y HN 0.279 nan 8.280 nan 0.000 0.527 398 E N 0.350 120.626 120.200 0.127 0.000 2.072 398 E HA -0.171 4.175 4.350 -0.006 0.000 0.191 398 E C 2.455 179.062 176.600 0.011 0.000 0.985 398 E CA 1.082 57.500 56.400 0.030 0.000 0.801 398 E CB -0.768 28.983 29.700 0.085 0.000 0.750 398 E HN 0.560 nan 8.360 nan 0.000 0.452 399 A N 1.523 124.384 122.820 0.069 0.000 1.908 399 A HA -0.162 4.155 4.320 -0.006 0.000 0.218 399 A C 2.474 180.200 177.584 0.236 0.000 1.181 399 A CA 2.041 54.155 52.037 0.128 0.000 0.627 399 A CB -0.805 18.231 19.000 0.060 0.000 0.818 399 A HN 0.219 nan 8.150 nan 0.000 0.445 400 V N -3.173 116.871 119.914 0.217 0.000 3.380 400 V HA -0.059 4.057 4.120 -0.006 0.000 0.268 400 V C 1.626 177.706 176.094 -0.023 0.000 1.168 400 V CA 1.538 63.945 62.300 0.179 0.000 1.156 400 V CB -0.555 31.433 31.823 0.274 0.000 0.785 400 V HN 0.452 nan 8.190 nan 0.000 0.487 401 Q N 1.150 120.873 119.800 -0.129 0.000 2.389 401 Q HA 0.271 4.607 4.340 -0.006 0.000 0.204 401 Q C 1.596 177.558 176.000 -0.063 0.000 0.944 401 Q CA 0.954 56.656 55.803 -0.168 0.000 0.908 401 Q CB 0.211 28.804 28.738 -0.241 0.000 1.002 401 Q HN 0.930 nan 8.270 nan 0.000 0.493 402 G N 2.134 110.926 108.800 -0.012 0.000 2.528 402 G HA2 -0.369 3.588 3.960 -0.006 0.000 0.262 402 G HA3 -0.369 3.588 3.960 -0.006 0.000 0.262 402 G C 0.006 174.907 174.900 0.002 0.000 1.200 402 G CA 0.282 45.385 45.100 0.006 0.000 0.951 402 G HN 0.430 nan 8.290 nan 0.000 0.566 403 D N 0.394 120.794 120.400 0.001 0.000 2.363 403 D HA 0.242 4.878 4.640 -0.006 0.000 0.226 403 D C 1.697 177.996 176.300 -0.002 0.000 1.020 403 D CA 1.003 55.005 54.000 0.003 0.000 0.892 403 D CB 0.220 41.022 40.800 0.004 0.000 0.900 403 D HN 0.368 nan 8.370 nan 0.000 0.531 404 K N 0.611 121.004 120.400 -0.012 0.000 2.366 404 K HA 0.073 4.389 4.320 -0.006 0.000 0.198 404 K C 0.405 176.999 176.600 -0.009 0.000 1.044 404 K CA 0.067 56.346 56.287 -0.014 0.000 0.973 404 K CB -0.030 32.453 32.500 -0.027 0.000 0.767 404 K HN 0.137 nan 8.250 nan 0.000 0.475 405 S N 0.985 116.678 115.700 -0.011 0.000 2.545 405 S HA 0.216 4.682 4.470 -0.006 0.000 0.275 405 S C -1.669 172.943 174.600 0.019 0.000 1.299 405 S CA -1.319 56.884 58.200 0.005 0.000 1.048 405 S CB 0.814 64.014 63.200 0.000 0.000 0.938 405 S HN 0.108 nan 8.310 nan 0.000 0.496 406 P HA 0.135 nan 4.420 nan 0.000 0.237 406 P C -0.143 177.176 177.300 0.032 0.000 1.178 406 P CA 0.194 63.313 63.100 0.031 0.000 0.766 406 P CB -0.062 31.661 31.700 0.038 0.000 0.876 407 I N 2.794 123.385 120.570 0.035 0.000 2.312 407 I HA 0.243 4.409 4.170 -0.006 0.000 0.291 407 I C -2.280 173.851 176.117 0.023 0.000 1.031 407 I CA -3.682 57.638 61.300 0.032 0.000 1.293 407 I CB 0.078 38.101 38.000 0.039 0.000 1.403 407 I HN -0.191 nan 8.210 nan 0.000 0.484 408 P HA 0.046 nan 4.420 nan 0.000 0.262 408 P C -0.471 176.834 177.300 0.009 0.000 1.199 408 P CA -0.143 62.965 63.100 0.013 0.000 0.763 408 P CB 0.297 32.004 31.700 0.011 0.000 0.790 409 Q N 2.769 122.575 119.800 0.011 0.000 2.553 409 Q HA 0.226 4.562 4.340 -0.006 0.000 0.221 409 Q C 1.252 177.251 176.000 -0.001 0.000 1.219 409 Q CA -0.231 55.575 55.803 0.005 0.000 0.955 409 Q CB 0.604 29.354 28.738 0.019 0.000 1.399 409 Q HN 0.475 nan 8.270 nan 0.000 0.551 410 A N 2.393 125.207 122.820 -0.010 0.000 1.933 410 A HA -0.042 4.275 4.320 -0.006 0.000 0.218 410 A C 1.059 178.631 177.584 -0.019 0.000 1.175 410 A CA 1.175 53.204 52.037 -0.014 0.000 0.628 410 A CB 0.152 19.141 19.000 -0.018 0.000 0.814 410 A HN 0.444 nan 8.150 nan 0.000 0.444 411 V N -1.532 118.364 119.914 -0.029 0.000 2.628 411 V HA 0.522 4.638 4.120 -0.006 0.000 0.306 411 V C -0.867 175.210 176.094 -0.028 0.000 1.045 411 V CA -1.175 61.105 62.300 -0.033 0.000 0.905 411 V CB 1.624 33.416 31.823 -0.052 0.000 0.997 411 V HN 0.237 nan 8.190 nan 0.000 0.436 412 D N 2.892 123.286 120.400 -0.009 0.000 2.338 412 D HA 0.226 4.862 4.640 -0.006 0.000 0.255 412 D C 0.825 177.105 176.300 -0.033 0.000 1.237 412 D CA 0.067 54.077 54.000 0.017 0.000 0.883 412 D CB 1.101 41.933 40.800 0.054 0.000 1.087 412 D HN 0.597 nan 8.370 nan 0.000 0.485 413 L N 3.135 124.289 121.223 -0.114 0.000 2.376 413 L HA -0.048 4.289 4.340 -0.006 0.000 0.219 413 L C 1.177 177.811 176.870 -0.393 0.000 1.133 413 L CA 0.393 55.064 54.840 -0.281 0.000 0.816 413 L CB -0.182 41.631 42.059 -0.409 0.000 0.933 413 L HN 0.453 nan 8.230 nan 0.000 0.449 414 F N 0.133 120.076 119.950 -0.011 0.000 2.797 414 F HA 0.242 4.766 4.527 -0.006 0.000 0.302 414 F C 1.631 177.426 175.800 -0.007 0.000 1.130 414 F CA 0.177 58.173 58.000 -0.007 0.000 1.387 414 F CB -0.507 38.496 39.000 0.004 0.000 1.107 414 F HN 0.039 nan 8.300 nan 0.000 0.577 415 A N 0.509 123.387 122.820 0.096 0.000 2.511 415 A HA 0.025 4.341 4.320 -0.006 0.000 0.297 415 A C 1.814 179.439 177.584 0.069 0.000 1.476 415 A CA 1.033 53.104 52.037 0.056 0.000 0.757 415 A CB -1.841 17.174 19.000 0.025 0.000 1.072 415 A HN 1.401 nan 8.150 nan 0.000 0.413 416 G N -1.522 107.327 108.800 0.082 0.000 2.284 416 G HA2 -0.313 3.644 3.960 -0.006 0.000 0.247 416 G HA3 -0.313 3.644 3.960 -0.006 0.000 0.247 416 G C 0.252 175.186 174.900 0.057 0.000 1.012 416 G CA 1.033 46.168 45.100 0.058 0.000 0.618 416 G HN 1.275 nan 8.290 nan 0.000 0.521 417 K N 1.798 122.246 120.400 0.080 0.000 2.185 417 K HA 0.499 4.815 4.320 -0.006 0.000 0.271 417 K C -2.408 174.202 176.600 0.017 0.000 1.013 417 K CA -1.666 54.654 56.287 0.055 0.000 0.943 417 K CB 0.856 33.399 32.500 0.072 0.000 0.998 417 K HN 0.079 nan 8.250 nan 0.000 0.468 418 P HA -0.029 nan 4.420 nan 0.000 0.268 418 P C 0.179 177.365 177.300 -0.190 0.000 1.205 418 P CA 0.066 63.109 63.100 -0.095 0.000 0.771 418 P CB 0.649 32.311 31.700 -0.062 0.000 0.858 419 Q N 1.522 121.094 119.800 -0.380 0.000 2.077 419 Q HA -0.306 4.031 4.340 -0.006 0.000 0.206 419 Q C 2.124 177.974 176.000 -0.250 0.000 0.989 419 Q CA 2.179 57.597 55.803 -0.641 0.000 0.853 419 Q CB -0.165 28.198 28.738 -0.625 0.000 0.907 419 Q HN 0.617 nan 8.270 nan 0.000 0.418 420 Q N 0.655 120.377 119.800 -0.130 0.000 2.152 420 Q HA -0.268 4.068 4.340 -0.006 0.000 0.206 420 Q C 1.794 177.799 176.000 0.010 0.000 0.985 420 Q CA 1.924 57.709 55.803 -0.030 0.000 0.863 420 Q CB -0.183 28.538 28.738 -0.028 0.000 0.904 420 Q HN 0.410 nan 8.270 nan 0.000 0.422 421 E N -0.316 119.880 120.200 -0.006 0.000 2.106 421 E HA -0.154 4.193 4.350 -0.006 0.000 0.192 421 E C 1.882 178.522 176.600 0.066 0.000 0.984 421 E CA 1.400 57.818 56.400 0.028 0.000 0.806 421 E CB 0.159 29.870 29.700 0.018 0.000 0.750 421 E HN 0.380 nan 8.360 nan 0.000 0.458 422 V N 0.429 120.393 119.914 0.085 0.000 2.453 422 V HA -0.179 3.937 4.120 -0.006 0.000 0.247 422 V C 2.388 178.588 176.094 0.176 0.000 1.048 422 V CA 1.102 63.492 62.300 0.150 0.000 1.049 422 V CB -0.090 31.908 31.823 0.293 0.000 0.672 422 V HN 0.181 nan 8.190 nan 0.000 0.457 423 V N -0.069 119.970 119.914 0.209 0.000 2.407 423 V HA -0.228 3.888 4.120 -0.006 0.000 0.248 423 V C 2.263 178.557 176.094 0.332 0.000 1.055 423 V CA 1.821 64.338 62.300 0.362 0.000 1.049 423 V CB -0.522 31.510 31.823 0.349 0.000 0.662 423 V HN 0.439 nan 8.190 nan 0.000 0.455 424 L N -0.178 121.159 121.223 0.189 0.000 2.131 424 L HA -0.017 4.319 4.340 -0.006 0.000 0.206 424 L C 2.680 179.636 176.870 0.143 0.000 1.087 424 L CA 1.246 56.170 54.840 0.140 0.000 0.767 424 L CB -0.663 41.443 42.059 0.078 0.000 0.917 424 L HN 0.324 nan 8.230 nan 0.000 0.441 425 A N 0.055 122.951 122.820 0.127 0.000 1.930 425 A HA -0.127 4.189 4.320 -0.006 0.000 0.217 425 A C 2.494 180.156 177.584 0.129 0.000 1.175 425 A CA 1.591 53.694 52.037 0.109 0.000 0.627 425 A CB -0.605 18.444 19.000 0.081 0.000 0.815 425 A HN 0.377 nan 8.150 nan 0.000 0.443 426 A N -0.414 122.495 122.820 0.148 0.000 1.930 426 A HA 0.023 4.340 4.320 -0.006 0.000 0.217 426 A C 2.111 179.883 177.584 0.313 0.000 1.175 426 A CA 1.318 53.433 52.037 0.130 0.000 0.627 426 A CB -0.520 18.418 19.000 -0.103 0.000 0.815 426 A HN 0.458 nan 8.150 nan 0.000 0.443 427 L N -0.835 120.627 121.223 0.399 0.000 2.201 427 L HA -0.171 4.165 4.340 -0.006 0.000 0.212 427 L C 2.585 179.619 176.870 0.274 0.000 1.105 427 L CA 1.644 56.696 54.840 0.353 0.000 0.775 427 L CB -0.262 41.928 42.059 0.218 0.000 0.913 427 L HN 0.617 nan 8.230 nan 0.000 0.440 428 E N -0.020 120.312 120.200 0.220 0.000 2.107 428 E HA -0.215 4.131 4.350 -0.006 0.000 0.191 428 E C 1.517 178.255 176.600 0.229 0.000 0.982 428 E CA 1.047 57.577 56.400 0.215 0.000 0.809 428 E CB 0.202 29.991 29.700 0.147 0.000 0.756 428 E HN 0.388 nan 8.360 nan 0.000 0.459 429 D N -0.037 120.472 120.400 0.180 0.000 2.117 429 D HA -0.122 4.515 4.640 -0.006 0.000 0.197 429 D C 1.862 178.256 176.300 0.158 0.000 0.987 429 D CA 1.562 55.644 54.000 0.136 0.000 0.829 429 D CB -0.388 40.468 40.800 0.092 0.000 0.961 429 D HN 0.179 nan 8.370 nan 0.000 0.460 430 T N 0.223 114.911 114.554 0.224 0.000 2.737 430 T HA -0.156 4.191 4.350 -0.006 0.000 0.265 430 T C 1.677 176.536 174.700 0.264 0.000 1.038 430 T CA 0.770 63.013 62.100 0.239 0.000 1.144 430 T CB -0.349 68.709 68.868 0.316 0.000 0.866 430 T HN 0.373 nan 8.240 nan 0.000 0.434 431 W N 2.432 123.826 121.300 0.157 0.000 2.338 431 W HA -0.139 4.517 4.660 -0.006 0.000 0.304 431 W C 2.189 178.791 176.519 0.137 0.000 1.212 431 W CA 1.514 58.964 57.345 0.175 0.000 1.264 431 W CB -0.182 29.360 29.460 0.136 0.000 1.142 431 W HN 0.286 nan 8.180 nan 0.000 0.512 432 E N -0.067 120.196 120.200 0.106 0.000 2.038 432 E HA -0.202 4.145 4.350 -0.006 0.000 0.195 432 E C 1.935 178.460 176.600 -0.125 0.000 1.000 432 E CA 2.509 58.894 56.400 -0.025 0.000 0.803 432 E CB -0.482 29.265 29.700 0.079 0.000 0.750 432 E HN 0.128 nan 8.360 nan 0.000 0.448 433 T N 2.017 116.527 114.554 -0.072 0.000 2.674 433 T HA -0.114 4.232 4.350 -0.006 0.000 0.265 433 T C 2.094 176.667 174.700 -0.212 0.000 1.039 433 T CA 1.474 63.505 62.100 -0.115 0.000 1.150 433 T CB -0.259 68.577 68.868 -0.053 0.000 0.864 433 T HN 0.155 nan 8.240 nan 0.000 0.427 434 L N 1.511 122.605 121.223 -0.215 0.000 2.109 434 L HA -0.050 4.287 4.340 -0.006 0.000 0.207 434 L C 2.951 179.481 176.870 -0.568 0.000 1.086 434 L CA 1.307 55.922 54.840 -0.374 0.000 0.760 434 L CB -0.789 41.080 42.059 -0.317 0.000 0.910 434 L HN 0.381 nan 8.230 nan 0.000 0.437 435 S N -0.670 114.679 115.700 -0.585 0.000 2.402 435 S HA -0.176 4.291 4.470 -0.006 0.000 0.229 435 S C 2.040 176.402 174.600 -0.397 0.000 1.021 435 S CA 0.654 58.495 58.200 -0.598 0.000 0.974 435 S CB -0.248 62.261 63.200 -1.153 0.000 0.800 435 S HN 0.264 nan 8.310 nan 0.000 0.484 436 K N 1.515 121.696 120.400 -0.365 0.000 2.057 436 K HA -0.082 4.235 4.320 -0.006 0.000 0.207 436 K C 2.527 178.936 176.600 -0.320 0.000 1.049 436 K CA 1.435 57.560 56.287 -0.270 0.000 0.931 436 K CB -0.235 32.134 32.500 -0.218 0.000 0.714 436 K HN 0.546 nan 8.250 nan 0.000 0.440 437 R N -0.976 119.237 120.500 -0.478 0.000 2.100 437 R HA -0.077 4.259 4.340 -0.006 0.000 0.220 437 R C 1.524 177.372 176.300 -0.754 0.000 1.091 437 R CA 1.082 56.788 56.100 -0.656 0.000 0.986 437 R CB -0.005 29.745 30.300 -0.916 0.000 0.888 437 R HN 0.114 nan 8.270 nan 0.000 0.444 438 Y N -0.477 119.538 120.300 -0.474 0.000 2.481 438 Y HA 0.396 4.942 4.550 -0.006 0.000 0.258 438 Y C 1.070 176.843 175.900 -0.212 0.000 1.103 438 Y CA 0.462 58.265 58.100 -0.495 0.000 1.287 438 Y CB 0.832 38.570 38.460 -1.203 0.000 1.108 438 Y HN 0.383 nan 8.280 nan 0.000 0.529 439 G N 0.498 109.273 108.800 -0.041 0.000 2.631 439 G HA2 -0.245 3.711 3.960 -0.006 0.000 0.504 439 G HA3 -0.245 3.711 3.960 -0.006 0.000 0.504 439 G C 0.125 175.186 174.900 0.268 0.000 1.306 439 G CA -0.160 45.000 45.100 0.100 0.000 0.897 439 G HN 0.156 nan 8.290 nan 0.000 0.520 440 N N 0.183 119.043 118.700 0.266 0.000 2.392 440 N HA -0.017 4.720 4.740 -0.006 0.000 0.177 440 N C 0.866 176.587 175.510 0.351 0.000 1.066 440 N CA 0.432 53.705 53.050 0.371 0.000 0.895 440 N CB 0.210 38.906 38.487 0.348 0.000 0.988 440 N HN 0.618 nan 8.380 nan 0.000 0.457 441 N N 1.662 120.518 118.700 0.260 0.000 2.555 441 N HA 0.073 4.809 4.740 -0.006 0.000 0.244 441 N C 0.991 176.450 175.510 -0.085 0.000 1.114 441 N CA -0.259 52.853 53.050 0.102 0.000 0.963 441 N CB 0.706 39.254 38.487 0.102 0.000 1.276 441 N HN -0.254 nan 8.380 nan 0.000 0.510 442 V N 2.433 122.095 119.914 -0.420 0.000 2.453 442 V HA -0.245 3.871 4.120 -0.006 0.000 0.252 442 V C 2.035 177.748 176.094 -0.635 0.000 1.068 442 V CA 1.641 63.284 62.300 -1.095 0.000 1.070 442 V CB -0.333 30.980 31.823 -0.850 0.000 0.664 442 V HN 0.640 nan 8.190 nan 0.000 0.461 443 S N 0.550 116.081 115.700 -0.282 0.000 2.474 443 S HA -0.112 4.355 4.470 -0.006 0.000 0.235 443 S C 1.398 175.969 174.600 -0.047 0.000 0.997 443 S CA 1.276 59.390 58.200 -0.144 0.000 0.949 443 S CB -0.565 62.581 63.200 -0.090 0.000 0.766 443 S HN 0.981 nan 8.310 nan 0.000 0.517 444 N N -1.068 117.648 118.700 0.028 0.000 2.214 444 N HA 0.030 4.766 4.740 -0.006 0.000 0.214 444 N C -0.832 174.797 175.510 0.198 0.000 1.132 444 N CA -0.458 52.652 53.050 0.100 0.000 0.856 444 N CB 0.060 38.607 38.487 0.100 0.000 1.020 444 N HN 0.170 nan 8.380 nan 0.000 0.509 445 W N 2.671 123.906 121.300 -0.109 0.000 2.469 445 W HA 0.220 4.876 4.660 -0.006 0.000 0.321 445 W C 0.227 176.584 176.519 -0.271 0.000 1.415 445 W CA -0.751 56.439 57.345 -0.259 0.000 1.308 445 W CB 0.295 29.550 29.460 -0.342 0.000 1.368 445 W HN -0.075 nan 8.180 nan 0.000 0.546 446 K N 3.111 123.446 120.400 -0.108 0.000 2.419 446 K HA 0.213 4.530 4.320 -0.006 0.000 0.244 446 K C 0.219 176.724 176.600 -0.158 0.000 1.045 446 K CA -0.333 55.913 56.287 -0.069 0.000 1.004 446 K CB 0.784 33.285 32.500 0.003 0.000 1.376 446 K HN 0.353 nan 8.250 nan 0.000 0.460 447 T N -0.211 114.248 114.554 -0.160 0.000 2.882 447 T HA 0.360 4.707 4.350 -0.006 0.000 0.287 447 T C -2.337 172.344 174.700 -0.031 0.000 0.992 447 T CA -2.271 59.755 62.100 -0.123 0.000 1.076 447 T CB 1.070 69.887 68.868 -0.086 0.000 0.961 447 T HN 0.184 nan 8.240 nan 0.000 0.490 448 P HA 0.286 nan 4.420 nan 0.000 0.267 448 P C -0.271 176.765 177.300 -0.440 0.000 1.209 448 P CA -0.237 62.760 63.100 -0.170 0.000 0.763 448 P CB 0.116 31.750 31.700 -0.111 0.000 0.816 449 A N 5.016 127.406 122.820 -0.717 0.000 2.351 449 A HA 0.411 4.728 4.320 -0.006 0.000 0.257 449 A C 0.548 177.623 177.584 -0.848 0.000 1.087 449 A CA -0.567 50.579 52.037 -1.484 0.000 0.798 449 A CB -0.019 18.213 19.000 -1.280 0.000 1.033 449 A HN 0.539 nan 8.150 nan 0.000 0.488 450 M N 1.444 120.573 119.600 -0.785 0.000 2.217 450 M HA 0.395 4.871 4.480 -0.006 0.000 0.354 450 M C 0.560 176.798 176.300 -0.103 0.000 1.225 450 M CA 0.185 55.327 55.300 -0.263 0.000 1.137 450 M CB 1.049 33.597 32.600 -0.087 0.000 1.576 450 M HN 0.847 nan 8.290 nan 0.000 0.461 451 A N 3.090 125.875 122.820 -0.059 0.000 2.352 451 A HA 0.894 5.211 4.320 -0.006 0.000 0.299 451 A C -1.405 176.199 177.584 0.033 0.000 1.160 451 A CA -0.661 51.378 52.037 0.002 0.000 0.933 451 A CB 1.069 20.065 19.000 -0.007 0.000 1.387 451 A HN 0.677 nan 8.150 nan 0.000 0.487 452 L N -0.225 120.982 121.223 -0.028 0.000 2.406 452 L HA 0.608 4.944 4.340 -0.006 0.000 0.272 452 L C -0.701 176.057 176.870 -0.185 0.000 0.980 452 L CA 0.207 54.923 54.840 -0.206 0.000 0.831 452 L CB 1.746 43.532 42.059 -0.455 0.000 1.253 452 L HN 0.600 nan 8.230 nan 0.000 0.406 453 T N 5.552 119.985 114.554 -0.201 0.000 2.771 453 T HA 0.476 4.823 4.350 -0.006 0.000 0.281 453 T C -0.454 174.117 174.700 -0.215 0.000 0.982 453 T CA 0.109 62.106 62.100 -0.171 0.000 0.978 453 T CB 0.249 69.080 68.868 -0.062 0.000 0.930 453 T HN 0.255 nan 8.240 nan 0.000 0.447 454 F N 3.523 123.370 119.950 -0.173 0.000 2.405 454 F HA 0.339 4.862 4.527 -0.006 0.000 0.358 454 F C 1.339 177.090 175.800 -0.082 0.000 1.151 454 F CA -0.760 57.185 58.000 -0.092 0.000 1.161 454 F CB 0.321 39.266 39.000 -0.092 0.000 1.245 454 F HN 0.226 nan 8.300 nan 0.000 0.545 455 R N 1.478 122.022 120.500 0.074 0.000 2.539 455 R HA 0.427 4.763 4.340 -0.006 0.000 0.275 455 R C 0.994 177.437 176.300 0.238 0.000 1.077 455 R CA 0.003 56.185 56.100 0.136 0.000 1.097 455 R CB 0.909 31.302 30.300 0.155 0.000 1.018 455 R HN 0.746 nan 8.270 nan 0.000 0.483 456 A N 2.492 125.422 122.820 0.184 0.000 2.072 456 A HA 0.002 4.319 4.320 -0.006 0.000 0.216 456 A C 0.333 178.027 177.584 0.184 0.000 1.156 456 A CA 0.581 52.718 52.037 0.166 0.000 0.701 456 A CB -0.026 19.047 19.000 0.121 0.000 0.816 456 A HN 0.573 nan 8.150 nan 0.000 0.458 457 N N 1.612 120.441 118.700 0.215 0.000 2.518 457 N HA 0.243 4.980 4.740 -0.006 0.000 0.283 457 N C -0.189 175.485 175.510 0.273 0.000 1.119 457 N CA -0.359 52.815 53.050 0.206 0.000 0.983 457 N CB 0.753 39.352 38.487 0.188 0.000 1.139 457 N HN 0.608 nan 8.380 nan 0.000 0.465 458 N N 0.491 119.282 118.700 0.152 0.000 2.327 458 N HA 0.026 4.763 4.740 -0.006 0.000 0.257 458 N C 0.966 176.520 175.510 0.073 0.000 1.281 458 N CA -0.465 52.591 53.050 0.011 0.000 0.942 458 N CB -0.024 38.475 38.487 0.020 0.000 1.199 458 N HN 0.521 nan 8.380 nan 0.000 0.532 459 F N -1.629 118.260 119.950 -0.102 0.000 2.307 459 F HA 0.086 4.609 4.527 -0.006 0.000 0.301 459 F C 1.084 176.895 175.800 0.018 0.000 1.076 459 F CA 0.519 58.528 58.000 0.015 0.000 1.383 459 F CB -0.738 38.227 39.000 -0.059 0.000 1.055 459 F HN 0.262 nan 8.300 nan 0.000 0.526 460 F N 1.188 120.858 119.950 -0.466 0.000 2.558 460 F HA 0.332 4.855 4.527 -0.006 0.000 0.298 460 F C 2.181 177.953 175.800 -0.048 0.000 1.119 460 F CA 0.732 58.569 58.000 -0.271 0.000 1.451 460 F CB -0.447 38.324 39.000 -0.382 0.000 1.091 460 F HN 0.238 nan 8.300 nan 0.000 0.563 461 G N -0.002 108.902 108.800 0.173 0.000 2.163 461 G HA2 -0.199 3.757 3.960 -0.006 0.000 0.213 461 G HA3 -0.199 3.757 3.960 -0.006 0.000 0.213 461 G C -0.186 174.783 174.900 0.114 0.000 0.991 461 G CA -0.119 45.072 45.100 0.151 0.000 0.653 461 G HN 0.130 nan 8.290 nan 0.000 0.518 462 V N 1.729 121.704 119.914 0.102 0.000 2.472 462 V HA 0.519 4.635 4.120 -0.006 0.000 0.290 462 V C -1.806 174.331 176.094 0.072 0.000 1.037 462 V CA -1.895 60.439 62.300 0.056 0.000 0.908 462 V CB 1.738 33.556 31.823 -0.010 0.000 0.985 462 V HN 0.074 nan 8.190 nan 0.000 0.454 463 P HA 0.078 nan 4.420 nan 0.000 0.264 463 P C -0.133 177.204 177.300 0.063 0.000 1.193 463 P CA 0.179 63.322 63.100 0.071 0.000 0.763 463 P CB 0.170 31.904 31.700 0.056 0.000 0.810 464 Q N 2.188 122.035 119.800 0.079 0.000 2.118 464 Q HA 0.627 4.964 4.340 -0.006 0.000 0.219 464 Q C -0.223 175.823 176.000 0.076 0.000 0.794 464 Q CA -0.561 55.283 55.803 0.068 0.000 1.035 464 Q CB 0.785 29.561 28.738 0.063 0.000 1.177 464 Q HN 0.336 nan 8.270 nan 0.000 0.478 465 A N 0.329 123.199 122.820 0.083 0.000 2.566 465 A HA 0.794 5.111 4.320 -0.006 0.000 0.290 465 A C -1.438 176.194 177.584 0.080 0.000 1.071 465 A CA -0.467 51.623 52.037 0.089 0.000 0.658 465 A CB 0.512 19.576 19.000 0.106 0.000 1.285 465 A HN 0.350 nan 8.150 nan 0.000 0.427 466 A N -0.014 122.851 122.820 0.075 0.000 2.304 466 A HA 0.649 4.965 4.320 -0.006 0.000 0.271 466 A C 1.492 179.121 177.584 0.074 0.000 1.091 466 A CA 0.466 52.541 52.037 0.063 0.000 0.812 466 A CB -0.024 19.004 19.000 0.046 0.000 1.056 466 A HN 2.386 nan 8.150 nan 0.000 0.489 467 A N 0.416 123.277 122.820 0.069 0.000 1.948 467 A HA -0.158 4.159 4.320 -0.006 0.000 0.220 467 A C 1.500 179.133 177.584 0.083 0.000 1.177 467 A CA 2.187 54.270 52.037 0.077 0.000 0.636 467 A CB -0.691 18.351 19.000 0.071 0.000 0.815 467 A HN 0.870 nan 8.150 nan 0.000 0.449 468 E N 0.415 120.660 120.200 0.074 0.000 2.472 468 E HA -0.085 4.261 4.350 -0.006 0.000 0.200 468 E C 1.333 177.989 176.600 0.092 0.000 1.046 468 E CA 0.951 57.398 56.400 0.079 0.000 0.871 468 E CB -0.151 29.585 29.700 0.059 0.000 0.806 468 E HN 0.761 nan 8.360 nan 0.000 0.533 469 E N 0.458 120.717 120.200 0.099 0.000 2.489 469 E HA 0.024 4.371 4.350 -0.006 0.000 0.193 469 E C -0.047 176.601 176.600 0.079 0.000 1.057 469 E CA 0.108 56.581 56.400 0.121 0.000 0.866 469 E CB 0.182 29.972 29.700 0.151 0.000 0.916 469 E HN 0.079 nan 8.360 nan 0.000 0.500 470 T N 2.357 116.952 114.554 0.069 0.000 2.934 470 T HA 0.057 4.403 4.350 -0.006 0.000 0.306 470 T C 0.252 174.921 174.700 -0.051 0.000 1.042 470 T CA 0.274 62.381 62.100 0.012 0.000 1.145 470 T CB 0.436 69.310 68.868 0.011 0.000 0.982 470 T HN -0.053 nan 8.240 nan 0.000 0.544 471 R N 2.318 122.759 120.500 -0.098 0.000 2.637 471 R HA 0.393 4.729 4.340 -0.006 0.000 0.291 471 R C -0.445 175.753 176.300 -0.170 0.000 0.963 471 R CA -0.686 55.367 56.100 -0.078 0.000 0.901 471 R CB 1.272 31.503 30.300 -0.116 0.000 1.160 471 R HN 0.692 nan 8.270 nan 0.000 0.457 472 H N 1.490 120.643 119.070 0.138 0.000 2.469 472 H HA 0.289 4.841 4.556 -0.006 0.000 0.342 472 H C -0.485 174.909 175.328 0.110 0.000 1.115 472 H CA -0.486 55.629 56.048 0.110 0.000 1.204 472 H CB 2.800 32.596 29.762 0.057 0.000 1.492 472 H HN 0.400 nan 8.280 nan 0.000 0.499 473 Q N 1.522 121.437 119.800 0.193 0.000 2.337 473 Q HA 0.543 4.879 4.340 -0.006 0.000 0.270 473 Q C -0.306 175.736 176.000 0.070 0.000 1.043 473 Q CA -0.751 55.130 55.803 0.129 0.000 0.794 473 Q CB 1.979 30.807 28.738 0.151 0.000 1.281 473 Q HN 0.737 nan 8.270 nan 0.000 0.446 474 A N 3.651 126.504 122.820 0.055 0.000 1.877 474 A HA -0.112 4.204 4.320 -0.006 0.000 0.216 474 A C 0.747 178.344 177.584 0.021 0.000 1.186 474 A CA 1.280 53.334 52.037 0.029 0.000 0.620 474 A CB -0.191 18.825 19.000 0.027 0.000 0.822 474 A HN 0.791 nan 8.150 nan 0.000 0.443 475 E N -0.446 119.776 120.200 0.037 0.000 2.130 475 E HA 0.292 4.638 4.350 -0.006 0.000 0.284 475 E C -1.187 175.439 176.600 0.042 0.000 1.018 475 E CA -0.845 55.599 56.400 0.074 0.000 0.817 475 E CB 0.294 30.055 29.700 0.101 0.000 1.078 475 E HN 0.384 nan 8.360 nan 0.000 0.396 476 Y N 4.141 124.436 120.300 -0.009 0.000 2.620 476 Y HA -0.030 4.517 4.550 -0.006 0.000 0.330 476 Y C -0.598 175.328 175.900 0.042 0.000 1.186 476 Y CA 0.643 58.712 58.100 -0.051 0.000 1.467 476 Y CB 0.514 38.982 38.460 0.012 0.000 1.262 476 Y HN 0.499 nan 8.280 nan 0.000 0.550 477 Q N 4.904 124.174 119.800 -0.883 0.000 2.310 477 Q HA 0.184 4.521 4.340 -0.006 0.000 0.270 477 Q C -0.970 174.634 176.000 -0.659 0.000 1.025 477 Q CA -0.976 54.526 55.803 -0.502 0.000 0.772 477 Q CB 1.298 29.895 28.738 -0.234 0.000 1.253 477 Q HN 0.597 nan 8.270 nan 0.000 0.450 478 N N 3.690 122.271 118.700 -0.199 0.000 3.050 478 N HA 0.051 4.787 4.740 -0.006 0.000 0.289 478 N C -1.187 174.465 175.510 0.237 0.000 1.209 478 N CA 0.077 53.226 53.050 0.164 0.000 1.154 478 N CB 0.029 38.778 38.487 0.436 0.000 1.444 478 N HN 0.572 nan 8.380 nan 0.000 0.529 479 R N -0.800 119.831 120.500 0.218 0.000 2.810 479 R HA 0.678 5.014 4.340 -0.006 0.000 0.266 479 R C 0.044 176.423 176.300 0.132 0.000 1.061 479 R CA -1.139 55.031 56.100 0.117 0.000 0.943 479 R CB -0.085 30.245 30.300 0.049 0.000 1.237 479 R HN 0.063 nan 8.270 nan 0.000 0.459 480 G N -0.068 108.712 108.800 -0.033 0.000 2.484 480 G HA2 0.123 4.080 3.960 -0.006 0.000 0.235 480 G HA3 0.123 4.080 3.960 -0.006 0.000 0.235 480 G C 0.414 175.336 174.900 0.037 0.000 1.282 480 G CA -0.141 44.897 45.100 -0.105 0.000 0.857 480 G HN 0.592 nan 8.290 nan 0.000 0.571 481 T N 0.979 115.423 114.554 -0.183 0.000 2.759 481 T HA -0.062 4.284 4.350 -0.006 0.000 0.269 481 T C 0.867 175.599 174.700 0.054 0.000 1.042 481 T CA 2.071 64.031 62.100 -0.234 0.000 1.140 481 T CB -0.148 68.567 68.868 -0.255 0.000 0.864 481 T HN 0.843 nan 8.240 nan 0.000 0.455 482 E N 0.392 120.616 120.200 0.041 0.000 2.369 482 E HA 0.598 4.944 4.350 -0.006 0.000 0.270 482 E C -1.479 175.112 176.600 -0.015 0.000 0.909 482 E CA -1.069 55.383 56.400 0.088 0.000 0.775 482 E CB 0.834 30.557 29.700 0.038 0.000 1.270 482 E HN 0.025 nan 8.360 nan 0.000 0.445 483 N N 0.472 119.195 118.700 0.037 0.000 2.269 483 N HA 0.473 5.209 4.740 -0.006 0.000 0.304 483 N C -1.792 173.768 175.510 0.084 0.000 1.072 483 N CA -0.751 52.255 53.050 -0.074 0.000 0.802 483 N CB 1.452 39.794 38.487 -0.242 0.000 1.348 483 N HN 0.646 nan 8.380 nan 0.000 0.484 484 D N 0.768 121.180 120.400 0.019 0.000 2.753 484 D HA 0.346 4.982 4.640 -0.006 0.000 0.224 484 D C -1.175 175.203 176.300 0.131 0.000 1.213 484 D CA -0.553 53.522 54.000 0.125 0.000 0.833 484 D CB 1.978 42.795 40.800 0.029 0.000 1.607 484 D HN 0.383 nan 8.370 nan 0.000 0.463 485 M N 1.680 121.406 119.600 0.211 0.000 2.327 485 M HA 0.528 5.004 4.480 -0.006 0.000 0.298 485 M C -2.218 174.133 176.300 0.085 0.000 1.065 485 M CA -0.679 54.721 55.300 0.166 0.000 0.916 485 M CB 1.891 34.673 32.600 0.303 0.000 1.630 485 M HN 0.416 nan 8.290 nan 0.000 0.442 486 I N 4.919 125.453 120.570 -0.060 0.000 2.436 486 I HA 0.506 4.672 4.170 -0.006 0.000 0.289 486 I C -1.018 174.935 176.117 -0.274 0.000 1.010 486 I CA -0.578 60.554 61.300 -0.281 0.000 1.098 486 I CB 2.093 39.828 38.000 -0.442 0.000 1.266 486 I HN 0.397 nan 8.210 nan 0.000 0.434 487 V N 6.597 126.313 119.914 -0.330 0.000 2.407 487 V HA 0.429 4.545 4.120 -0.006 0.000 0.291 487 V C -0.607 175.290 176.094 -0.329 0.000 1.018 487 V CA -0.565 61.621 62.300 -0.190 0.000 0.842 487 V CB 1.047 32.886 31.823 0.028 0.000 0.996 487 V HN 0.352 nan 8.190 nan 0.000 0.426 488 F N 2.126 122.032 119.950 -0.074 0.000 2.404 488 F HA 0.427 4.951 4.527 -0.006 0.000 0.339 488 F C 1.302 177.080 175.800 -0.037 0.000 1.105 488 F CA -0.419 57.534 58.000 -0.078 0.000 1.087 488 F CB 1.756 40.709 39.000 -0.079 0.000 1.143 488 F HN 0.608 nan 8.300 nan 0.000 0.491 489 S N 2.329 118.141 115.700 0.187 0.000 3.405 489 S HA -0.139 4.328 4.470 -0.006 0.000 0.373 489 S C -2.578 172.060 174.600 0.064 0.000 0.939 489 S CA -0.572 57.691 58.200 0.105 0.000 1.295 489 S CB -1.947 61.309 63.200 0.094 0.000 0.919 489 S HN 0.325 nan 8.310 nan 0.000 0.535 490 P HA 0.124 nan 4.420 nan 0.000 0.267 490 P C 1.314 178.635 177.300 0.034 0.000 1.205 490 P CA -0.002 63.120 63.100 0.035 0.000 0.765 490 P CB 0.496 32.212 31.700 0.028 0.000 0.828 491 T N -1.478 113.095 114.554 0.032 0.000 3.072 491 T HA -0.094 4.252 4.350 -0.006 0.000 0.266 491 T C 1.185 175.900 174.700 0.026 0.000 1.127 491 T CA 1.394 63.511 62.100 0.027 0.000 1.107 491 T CB -1.115 67.767 68.868 0.022 0.000 0.910 491 T HN 0.477 nan 8.240 nan 0.000 0.513 492 T N -1.113 113.459 114.554 0.029 0.000 3.122 492 T HA 0.405 4.752 4.350 -0.006 0.000 0.250 492 T C 0.537 175.256 174.700 0.032 0.000 1.067 492 T CA -0.053 62.065 62.100 0.030 0.000 0.966 492 T CB -0.106 68.783 68.868 0.034 0.000 1.002 492 T HN 0.446 nan 8.240 nan 0.000 0.542 493 S N 0.589 116.307 115.700 0.029 0.000 2.688 493 S HA 0.457 4.924 4.470 -0.006 0.000 0.275 493 S C -0.706 173.908 174.600 0.023 0.000 1.175 493 S CA -0.223 57.993 58.200 0.027 0.000 0.818 493 S CB 1.504 64.719 63.200 0.025 0.000 1.157 493 S HN 0.189 nan 8.310 nan 0.000 0.482 494 D N 0.150 120.563 120.400 0.022 0.000 2.366 494 D HA 0.162 4.798 4.640 -0.006 0.000 0.205 494 D C 0.352 176.666 176.300 0.023 0.000 1.022 494 D CA 0.013 54.026 54.000 0.022 0.000 0.868 494 D CB -0.160 40.651 40.800 0.019 0.000 0.953 494 D HN 0.332 nan 8.370 nan 0.000 0.514 495 R N 1.463 121.974 120.500 0.018 0.000 2.537 495 R HA 0.121 4.457 4.340 -0.006 0.000 0.280 495 R C -1.612 174.697 176.300 0.015 0.000 1.058 495 R CA -0.860 55.249 56.100 0.015 0.000 1.057 495 R CB 0.137 30.435 30.300 -0.003 0.000 0.973 495 R HN 0.105 nan 8.270 nan 0.000 0.438 496 P HA -0.060 nan 4.420 nan 0.000 0.223 496 P C 0.042 177.373 177.300 0.052 0.000 1.151 496 P CA 0.903 64.043 63.100 0.067 0.000 0.787 496 P CB 0.336 32.097 31.700 0.101 0.000 0.788 497 V N -1.324 118.553 119.914 -0.062 0.000 3.007 497 V HA 0.485 4.602 4.120 -0.006 0.000 0.311 497 V C -0.468 175.424 176.094 -0.337 0.000 1.120 497 V CA -0.934 61.186 62.300 -0.301 0.000 0.980 497 V CB 2.582 34.116 31.823 -0.481 0.000 1.033 497 V HN -0.231 nan 8.190 nan 0.000 0.429 498 L N 1.811 122.742 121.223 -0.488 0.000 2.445 498 L HA 0.975 5.311 4.340 -0.006 0.000 0.262 498 L C -0.377 176.002 176.870 -0.818 0.000 0.974 498 L CA -0.593 53.867 54.840 -0.634 0.000 0.822 498 L CB 2.288 44.008 42.059 -0.565 0.000 1.339 498 L HN 0.944 nan 8.230 nan 0.000 0.409 499 A N 1.943 124.157 122.820 -1.011 0.000 2.572 499 A HA 0.892 5.209 4.320 -0.006 0.000 0.295 499 A C -2.059 175.066 177.584 -0.766 0.000 1.072 499 A CA -0.480 51.172 52.037 -0.641 0.000 0.691 499 A CB 1.728 20.492 19.000 -0.393 0.000 1.291 499 A HN 0.666 nan 8.150 nan 0.000 0.404 500 W N 0.390 121.519 121.300 -0.284 0.000 3.042 500 W HA 0.557 5.214 4.660 -0.005 0.000 0.342 500 W C -1.102 175.302 176.519 -0.191 0.000 1.240 500 W CA -0.035 57.121 57.345 -0.314 0.000 1.166 500 W CB 2.178 31.383 29.460 -0.424 0.000 1.469 500 W HN 1.055 nan 8.180 nan 0.000 0.579 501 D N -0.994 119.461 120.400 0.090 0.000 2.851 501 D HA 0.481 5.118 4.640 -0.006 0.000 0.339 501 D C -1.978 174.392 176.300 0.116 0.000 1.347 501 D CA -0.436 53.632 54.000 0.113 0.000 0.888 501 D CB 1.814 42.642 40.800 0.045 0.000 1.431 501 D HN 0.221 nan 8.370 nan 0.000 0.509 502 V N -0.518 119.482 119.914 0.143 0.000 2.823 502 V HA 0.549 4.665 4.120 -0.006 0.000 0.296 502 V C -1.974 174.202 176.094 0.136 0.000 1.250 502 V CA -0.401 61.991 62.300 0.154 0.000 0.939 502 V CB 1.613 33.587 31.823 0.252 0.000 1.062 502 V HN 0.630 nan 8.190 nan 0.000 0.433 503 V N 6.828 126.783 119.914 0.068 0.000 2.385 503 V HA 0.855 4.972 4.120 -0.006 0.000 0.277 503 V C 0.372 176.458 176.094 -0.012 0.000 1.012 503 V CA 0.220 62.539 62.300 0.030 0.000 0.832 503 V CB 1.279 33.092 31.823 -0.018 0.000 1.028 503 V HN 1.273 nan 8.190 nan 0.000 0.436 504 A N 5.948 128.746 122.820 -0.037 0.000 2.340 504 A HA 0.898 5.214 4.320 -0.006 0.000 0.331 504 A C -1.906 175.546 177.584 -0.221 0.000 1.140 504 A CA -1.711 50.229 52.037 -0.162 0.000 0.801 504 A CB 1.593 20.453 19.000 -0.233 0.000 1.234 504 A HN 0.557 nan 8.150 nan 0.000 0.469 505 P HA 0.100 nan 4.420 nan 0.000 0.217 505 P C 0.736 177.900 177.300 -0.227 0.000 1.150 505 P CA 1.749 64.603 63.100 -0.411 0.000 0.832 505 P CB 0.255 31.652 31.700 -0.505 0.000 0.787 506 G N -2.174 106.527 108.800 -0.164 0.000 2.441 506 G HA2 0.190 4.147 3.960 -0.006 0.000 0.294 506 G HA3 0.190 4.147 3.960 -0.006 0.000 0.294 506 G C -0.255 174.612 174.900 -0.056 0.000 1.393 506 G CA -0.164 44.894 45.100 -0.071 0.000 0.796 506 G HN -0.119 nan 8.290 nan 0.000 0.494 507 Q N -0.040 119.736 119.800 -0.041 0.000 2.084 507 Q HA 0.074 4.410 4.340 -0.006 0.000 0.202 507 Q C 1.446 177.447 176.000 0.001 0.000 0.978 507 Q CA 2.114 57.859 55.803 -0.097 0.000 0.844 507 Q CB -0.157 28.476 28.738 -0.175 0.000 0.898 507 Q HN 0.625 nan 8.270 nan 0.000 0.426 508 S N -1.903 113.860 115.700 0.104 0.000 2.578 508 S HA 0.604 5.071 4.470 -0.006 0.000 0.283 508 S C 0.470 175.194 174.600 0.207 0.000 1.195 508 S CA -0.330 57.986 58.200 0.195 0.000 1.050 508 S CB 1.446 64.812 63.200 0.278 0.000 1.012 508 S HN 0.412 nan 8.310 nan 0.000 0.511 509 G N 2.426 111.378 108.800 0.253 0.000 3.324 509 G HA2 0.206 4.162 3.960 -0.006 0.000 0.251 509 G HA3 0.206 4.162 3.960 -0.006 0.000 0.251 509 G C -0.204 174.926 174.900 0.383 0.000 1.072 509 G CA -0.326 44.941 45.100 0.279 0.000 0.787 509 G HN 0.598 nan 8.290 nan 0.000 0.537 510 F N 1.834 121.913 119.950 0.216 0.000 2.456 510 F HA 0.603 5.128 4.527 -0.005 0.000 0.358 510 F C -0.208 175.614 175.800 0.037 0.000 1.095 510 F CA -1.333 56.737 58.000 0.116 0.000 1.216 510 F CB 0.607 39.657 39.000 0.084 0.000 1.125 510 F HN -0.159 nan 8.300 nan 0.000 0.549 511 I N 6.587 126.635 120.570 -0.871 0.000 2.439 511 I HA 0.398 4.564 4.170 -0.006 0.000 0.285 511 I C 0.047 175.466 176.117 -1.164 0.000 1.021 511 I CA -0.927 59.863 61.300 -0.851 0.000 1.091 511 I CB 1.382 39.111 38.000 -0.451 0.000 1.242 511 I HN 0.790 nan 8.210 nan 0.000 0.439 512 A N 8.120 130.345 122.820 -0.992 0.000 2.366 512 A HA 0.369 4.685 4.320 -0.006 0.000 0.250 512 A C -1.605 175.828 177.584 -0.251 0.000 1.099 512 A CA -0.767 50.974 52.037 -0.493 0.000 0.794 512 A CB -0.365 18.567 19.000 -0.115 0.000 1.056 512 A HN 0.586 nan 8.150 nan 0.000 0.499 513 P HA -0.102 nan 4.420 nan 0.000 0.220 513 P C 0.456 177.722 177.300 -0.057 0.000 1.148 513 P CA 1.470 64.540 63.100 -0.051 0.000 0.803 513 P CB -0.054 31.648 31.700 0.003 0.000 0.782 514 D N -1.500 118.866 120.400 -0.057 0.000 2.349 514 D HA 0.063 4.700 4.640 -0.006 0.000 0.224 514 D C 1.420 177.673 176.300 -0.077 0.000 1.029 514 D CA 0.733 54.702 54.000 -0.052 0.000 0.879 514 D CB -0.804 39.976 40.800 -0.033 0.000 0.906 514 D HN 0.246 nan 8.370 nan 0.000 0.528 515 G N -0.531 108.196 108.800 -0.121 0.000 2.176 515 G HA2 -0.233 3.724 3.960 -0.006 0.000 0.232 515 G HA3 -0.233 3.724 3.960 -0.006 0.000 0.232 515 G C 0.291 175.084 174.900 -0.177 0.000 0.986 515 G CA 0.144 45.158 45.100 -0.144 0.000 0.643 515 G HN 0.425 nan 8.290 nan 0.000 0.522 516 T N 1.245 115.698 114.554 -0.167 0.000 2.834 516 T HA 0.463 4.810 4.350 -0.006 0.000 0.298 516 T C 0.513 175.064 174.700 -0.248 0.000 0.966 516 T CA -0.027 61.979 62.100 -0.157 0.000 1.141 516 T CB 2.331 71.146 68.868 -0.089 0.000 0.905 516 T HN 0.339 nan 8.240 nan 0.000 0.535 517 V N 3.665 123.422 119.914 -0.262 0.000 2.509 517 V HA 0.154 4.271 4.120 -0.006 0.000 0.284 517 V C 0.627 176.613 176.094 -0.180 0.000 1.047 517 V CA -0.688 61.382 62.300 -0.384 0.000 0.952 517 V CB 1.619 33.116 31.823 -0.542 0.000 0.988 517 V HN 0.943 nan 8.190 nan 0.000 0.469 518 D N 3.129 123.485 120.400 -0.074 0.000 2.443 518 D HA -0.057 4.580 4.640 -0.006 0.000 0.234 518 D C 1.362 177.695 176.300 0.056 0.000 1.172 518 D CA 0.467 54.536 54.000 0.115 0.000 0.878 518 D CB 0.611 41.586 40.800 0.291 0.000 1.204 518 D HN 0.640 nan 8.370 nan 0.000 0.453 519 K N 1.502 121.892 120.400 -0.017 0.000 2.281 519 K HA -0.204 4.112 4.320 -0.006 0.000 0.203 519 K C 0.416 176.859 176.600 -0.262 0.000 1.046 519 K CA 1.344 57.523 56.287 -0.180 0.000 0.938 519 K CB -0.095 32.210 32.500 -0.326 0.000 0.737 519 K HN 0.606 nan 8.250 nan 0.000 0.458 520 H N -1.331 117.811 119.070 0.121 0.000 2.469 520 H HA 0.069 4.621 4.556 -0.006 0.000 0.286 520 H C 0.135 175.540 175.328 0.128 0.000 1.106 520 H CA -0.395 55.712 56.048 0.099 0.000 1.055 520 H CB 0.372 30.176 29.762 0.070 0.000 1.618 520 H HN 0.235 nan 8.280 nan 0.000 0.559 521 Y N 2.043 122.393 120.300 0.084 0.000 2.337 521 Y HA -0.085 4.461 4.550 -0.006 0.000 0.293 521 Y C 1.102 177.005 175.900 0.005 0.000 1.123 521 Y CA 1.311 59.438 58.100 0.045 0.000 1.201 521 Y CB 0.740 39.211 38.460 0.019 0.000 1.011 521 Y HN 0.345 nan 8.280 nan 0.000 0.545 522 E N -1.013 119.243 120.200 0.093 0.000 3.293 522 E HA 0.076 4.422 4.350 -0.006 0.000 0.174 522 E C -0.420 176.178 176.600 -0.003 0.000 0.958 522 E CA 0.217 56.591 56.400 -0.043 0.000 1.352 522 E CB -0.392 29.310 29.700 0.004 0.000 1.066 522 E HN 0.439 nan 8.360 nan 0.000 0.448 523 D N 0.588 121.013 120.400 0.042 0.000 2.325 523 D HA -0.036 4.601 4.640 -0.006 0.000 0.225 523 D C 1.046 177.371 176.300 0.042 0.000 1.096 523 D CA -0.032 54.002 54.000 0.058 0.000 0.844 523 D CB 0.367 41.234 40.800 0.112 0.000 0.925 523 D HN 0.315 nan 8.370 nan 0.000 0.513 524 Q N -0.572 119.230 119.800 0.004 0.000 2.164 524 Q HA 0.176 4.512 4.340 -0.006 0.000 0.226 524 Q C 1.456 177.459 176.000 0.004 0.000 0.813 524 Q CA -0.287 55.525 55.803 0.015 0.000 0.978 524 Q CB 0.653 29.399 28.738 0.013 0.000 1.149 524 Q HN 0.067 nan 8.270 nan 0.000 0.489 525 L N 1.307 122.492 121.223 -0.062 0.000 2.046 525 L HA -0.174 4.163 4.340 -0.006 0.000 0.208 525 L C 1.889 178.765 176.870 0.011 0.000 1.077 525 L CA 1.841 56.617 54.840 -0.106 0.000 0.747 525 L CB 0.016 41.950 42.059 -0.208 0.000 0.896 525 L HN -0.050 nan 8.230 nan 0.000 0.432 526 K N -1.078 119.334 120.400 0.020 0.000 2.167 526 K HA -0.076 4.240 4.320 -0.006 0.000 0.203 526 K C 2.034 178.661 176.600 0.044 0.000 1.052 526 K CA 1.350 57.657 56.287 0.034 0.000 0.956 526 K CB -0.387 32.129 32.500 0.026 0.000 0.735 526 K HN 0.416 nan 8.250 nan 0.000 0.451 527 M N -0.151 119.483 119.600 0.057 0.000 2.117 527 M HA -0.230 4.246 4.480 -0.006 0.000 0.262 527 M C 2.105 178.453 176.300 0.079 0.000 1.065 527 M CA 1.606 56.944 55.300 0.064 0.000 1.114 527 M CB -0.237 32.404 32.600 0.069 0.000 1.361 527 M HN 0.050 nan 8.290 nan 0.000 0.408 528 Y N 1.270 121.565 120.300 -0.008 0.000 2.070 528 Y HA -0.323 4.224 4.550 -0.006 0.000 0.280 528 Y C 2.382 178.189 175.900 -0.155 0.000 1.148 528 Y CA 2.598 60.688 58.100 -0.016 0.000 1.125 528 Y CB -0.678 37.823 38.460 0.069 0.000 0.975 528 Y HN 0.471 nan 8.280 nan 0.000 0.492 529 E N 0.293 120.474 120.200 -0.032 0.000 2.097 529 E HA -0.295 4.051 4.350 -0.006 0.000 0.196 529 E C 0.810 177.196 176.600 -0.357 0.000 1.000 529 E CA 1.902 58.187 56.400 -0.191 0.000 0.804 529 E CB -0.500 29.191 29.700 -0.014 0.000 0.740 529 E HN 0.803 nan 8.360 nan 0.000 0.454 530 N N -0.568 118.021 118.700 -0.184 0.000 2.313 530 N HA 0.104 4.841 4.740 -0.006 0.000 0.207 530 N C -0.640 174.892 175.510 0.035 0.000 1.141 530 N CA 0.213 53.225 53.050 -0.063 0.000 0.830 530 N CB 0.107 38.621 38.487 0.046 0.000 1.008 530 N HN 0.099 nan 8.380 nan 0.000 0.481 531 F N -1.225 118.721 119.950 -0.007 0.000 2.988 531 F HA -0.221 4.303 4.527 -0.006 0.000 0.287 531 F C 1.324 177.271 175.800 0.245 0.000 0.781 531 F CA 0.386 58.441 58.000 0.092 0.000 1.221 531 F CB -1.934 37.104 39.000 0.064 0.000 1.392 531 F HN 0.218 nan 8.300 nan 0.000 0.425 532 G N 0.184 109.097 108.800 0.188 0.000 2.563 532 G HA2 0.722 4.678 3.960 -0.006 0.000 0.283 532 G HA3 0.722 4.678 3.960 -0.006 0.000 0.283 532 G C -0.099 174.834 174.900 0.056 0.000 1.309 532 G CA -0.241 44.907 45.100 0.080 0.000 1.022 532 G HN 0.478 nan 8.290 nan 0.000 0.501 533 R N -1.401 119.026 120.500 -0.122 0.000 2.664 533 R HA 0.497 4.833 4.340 -0.006 0.000 0.266 533 R C -1.101 175.161 176.300 -0.063 0.000 1.046 533 R CA -1.108 54.906 56.100 -0.143 0.000 0.885 533 R CB 1.396 31.356 30.300 -0.567 0.000 1.254 533 R HN 0.667 nan 8.270 nan 0.000 0.465 534 K N 1.161 121.565 120.400 0.008 0.000 2.156 534 K HA 0.457 4.774 4.320 -0.006 0.000 0.250 534 K C -0.780 175.769 176.600 -0.086 0.000 0.955 534 K CA -0.737 55.541 56.287 -0.015 0.000 0.855 534 K CB 2.128 34.594 32.500 -0.057 0.000 1.101 534 K HN 0.482 nan 8.250 nan 0.000 0.434 535 S N 1.969 117.451 115.700 -0.363 0.000 2.564 535 S HA 0.194 4.661 4.470 -0.006 0.000 0.278 535 S C -0.082 173.831 174.600 -1.144 0.000 1.333 535 S CA -0.615 56.997 58.200 -0.980 0.000 1.048 535 S CB 0.132 62.447 63.200 -1.475 0.000 0.900 535 S HN 0.411 nan 8.310 nan 0.000 0.505 536 L N 3.045 123.662 121.223 -1.009 0.000 2.289 536 L HA 0.465 4.802 4.340 -0.006 0.000 0.285 536 L C -0.725 175.703 176.870 -0.737 0.000 1.049 536 L CA -0.430 53.987 54.840 -0.706 0.000 0.804 536 L CB 0.859 42.707 42.059 -0.351 0.000 1.195 536 L HN 0.695 nan 8.230 nan 0.000 0.428 537 W N 3.820 125.027 121.300 -0.154 0.000 2.578 537 W HA 0.460 5.116 4.660 -0.006 0.000 0.346 537 W C 0.364 176.854 176.519 -0.048 0.000 1.075 537 W CA -0.642 56.626 57.345 -0.128 0.000 1.233 537 W CB 1.510 30.896 29.460 -0.125 0.000 1.358 537 W HN 0.341 nan 8.180 nan 0.000 0.574 538 L N 1.241 122.613 121.223 0.250 0.000 2.738 538 L HA 0.235 4.571 4.340 -0.006 0.000 0.175 538 L C 1.363 178.300 176.870 0.111 0.000 1.125 538 L CA 0.824 55.771 54.840 0.179 0.000 0.857 538 L CB -0.543 41.598 42.059 0.136 0.000 1.300 538 L HN 0.371 nan 8.230 nan 0.000 0.499 539 T N -1.766 112.838 114.554 0.083 0.000 2.903 539 T HA 0.040 4.386 4.350 -0.006 0.000 0.314 539 T C 1.094 175.752 174.700 -0.071 0.000 1.078 539 T CA 0.088 62.191 62.100 0.005 0.000 1.114 539 T CB 0.649 69.528 68.868 0.019 0.000 0.987 539 T HN 0.291 nan 8.240 nan 0.000 0.548 540 K N 0.519 120.854 120.400 -0.108 0.000 2.032 540 K HA -0.193 4.123 4.320 -0.006 0.000 0.209 540 K C 2.471 179.005 176.600 -0.110 0.000 1.048 540 K CA 1.784 57.991 56.287 -0.134 0.000 0.927 540 K CB -0.203 32.235 32.500 -0.103 0.000 0.712 540 K HN 0.840 nan 8.250 nan 0.000 0.441 541 Q N 0.690 120.437 119.800 -0.088 0.000 2.084 541 Q HA -0.204 4.132 4.340 -0.006 0.000 0.202 541 Q C 1.109 177.021 176.000 -0.147 0.000 0.978 541 Q CA 1.796 57.539 55.803 -0.100 0.000 0.844 541 Q CB 0.068 28.763 28.738 -0.072 0.000 0.898 541 Q HN 0.267 nan 8.270 nan 0.000 0.426 542 D N -0.149 120.158 120.400 -0.154 0.000 2.144 542 D HA -0.111 4.526 4.640 -0.006 0.000 0.200 542 D C 2.026 178.113 176.300 -0.356 0.000 0.978 542 D CA 1.037 54.855 54.000 -0.302 0.000 0.833 542 D CB -0.035 40.611 40.800 -0.257 0.000 0.961 542 D HN 0.150 nan 8.370 nan 0.000 0.470 543 V N 1.544 121.340 119.914 -0.198 0.000 2.358 543 V HA -0.167 3.949 4.120 -0.006 0.000 0.246 543 V C 2.394 178.406 176.094 -0.137 0.000 1.047 543 V CA 1.370 63.586 62.300 -0.139 0.000 1.035 543 V CB -0.315 31.467 31.823 -0.069 0.000 0.658 543 V HN 0.083 nan 8.190 nan 0.000 0.452 544 E N 0.638 120.754 120.200 -0.140 0.000 2.077 544 E HA -0.155 4.191 4.350 -0.006 0.000 0.193 544 E C 2.369 178.862 176.600 -0.178 0.000 0.989 544 E CA 1.547 57.871 56.400 -0.127 0.000 0.800 544 E CB -0.558 29.076 29.700 -0.110 0.000 0.746 544 E HN 0.559 nan 8.360 nan 0.000 0.452 545 A N 0.428 123.094 122.820 -0.256 0.000 2.070 545 A HA -0.160 4.157 4.320 -0.006 0.000 0.220 545 A C 1.140 178.343 177.584 -0.635 0.000 1.159 545 A CA 1.385 53.170 52.037 -0.421 0.000 0.656 545 A CB -0.512 18.203 19.000 -0.474 0.000 0.800 545 A HN 0.239 nan 8.150 nan 0.000 0.453 546 H N -1.431 117.432 119.070 -0.346 0.000 2.528 546 H HA 0.241 4.793 4.556 -0.006 0.000 0.282 546 H C 0.300 175.568 175.328 -0.099 0.000 1.097 546 H CA -0.164 55.741 56.048 -0.239 0.000 1.121 546 H CB 0.192 29.715 29.762 -0.398 0.000 1.590 546 H HN 0.411 nan 8.280 nan 0.000 0.553 547 K N 2.036 122.413 120.400 -0.039 0.000 2.451 547 K HA -0.058 4.258 4.320 -0.006 0.000 0.280 547 K C 0.801 177.414 176.600 0.022 0.000 1.020 547 K CA 0.178 56.464 56.287 -0.001 0.000 1.008 547 K CB 0.677 33.158 32.500 -0.031 0.000 0.917 547 K HN 0.568 nan 8.250 nan 0.000 0.478 548 E N 1.842 122.073 120.200 0.052 0.000 2.389 548 E HA 0.033 4.380 4.350 -0.006 0.000 0.199 548 E C -0.141 176.489 176.600 0.050 0.000 0.978 548 E CA -0.164 56.273 56.400 0.063 0.000 0.912 548 E CB 0.418 30.184 29.700 0.109 0.000 0.907 548 E HN 0.488 nan 8.360 nan 0.000 0.494 549 S N -0.622 115.104 115.700 0.043 0.000 2.611 549 S HA 0.382 4.848 4.470 -0.006 0.000 0.268 549 S C -1.481 173.134 174.600 0.024 0.000 1.156 549 S CA -0.976 57.245 58.200 0.034 0.000 0.817 549 S CB 1.976 65.204 63.200 0.045 0.000 1.122 549 S HN 0.132 nan 8.310 nan 0.000 0.466 550 Q N 0.124 119.935 119.800 0.018 0.000 2.309 550 Q HA 0.551 4.887 4.340 -0.006 0.000 0.273 550 Q C -2.023 173.982 176.000 0.009 0.000 1.040 550 Q CA -0.321 55.489 55.803 0.011 0.000 0.834 550 Q CB 2.071 30.813 28.738 0.006 0.000 1.345 550 Q HN 0.825 nan 8.270 nan 0.000 0.414 551 E N 2.753 122.955 120.200 0.003 0.000 2.278 551 E HA 0.517 4.864 4.350 -0.006 0.000 0.272 551 E C -1.788 174.800 176.600 -0.020 0.000 0.890 551 E CA -0.639 55.759 56.400 -0.003 0.000 0.770 551 E CB 1.985 31.683 29.700 -0.003 0.000 1.212 551 E HN 0.366 nan 8.360 nan 0.000 0.415 552 V N 5.400 125.296 119.914 -0.029 0.000 2.555 552 V HA 0.494 4.610 4.120 -0.006 0.000 0.302 552 V C -0.278 175.739 176.094 -0.128 0.000 1.038 552 V CA -0.639 61.608 62.300 -0.089 0.000 0.887 552 V CB 1.445 33.224 31.823 -0.074 0.000 0.991 552 V HN 0.626 nan 8.190 nan 0.000 0.434 553 L N 3.872 124.966 121.223 -0.215 0.000 2.333 553 L HA 0.651 4.988 4.340 -0.006 0.000 0.269 553 L C -0.982 175.670 176.870 -0.363 0.000 1.010 553 L CA -0.749 53.992 54.840 -0.166 0.000 0.818 553 L CB 1.934 43.944 42.059 -0.081 0.000 1.306 553 L HN 0.613 nan 8.230 nan 0.000 0.430 554 H N 0.743 119.817 119.070 0.006 0.000 2.646 554 H HA 0.692 5.249 4.556 0.002 0.000 0.328 554 H C -1.127 174.204 175.328 0.006 0.000 0.998 554 H CA -0.437 55.615 56.048 0.007 0.000 1.225 554 H CB 1.858 31.623 29.762 0.006 0.000 1.457 554 H HN 0.203 nan 8.280 nan 0.000 0.505 555 V N 3.085 123.048 119.914 0.081 0.000 2.888 555 V HA 0.320 4.436 4.120 -0.006 0.000 0.309 555 V C -0.873 175.247 176.094 0.044 0.000 1.114 555 V CA -0.862 61.468 62.300 0.050 0.000 0.940 555 V CB 2.285 34.120 31.823 0.020 0.000 1.021 555 V HN 0.587 nan 8.190 nan 0.000 0.426 556 Q N 2.441 122.262 119.800 0.035 0.000 2.337 556 Q HA 0.520 4.857 4.340 -0.006 0.000 0.270 556 Q C -0.288 175.723 176.000 0.019 0.000 1.043 556 Q CA -0.525 55.295 55.803 0.028 0.000 0.794 556 Q CB 2.305 31.060 28.738 0.028 0.000 1.281 556 Q HN 0.746 nan 8.270 nan 0.000 0.446 557 R N 0.000 120.510 120.500 0.017 0.000 2.786 557 R HA 0.000 4.336 4.340 -0.006 0.000 0.208 557 R CA 0.000 56.107 56.100 0.012 0.000 0.921 557 R CB 0.000 30.307 30.300 0.012 0.000 0.687 557 R HN 0.000 nan 8.270 nan 0.000 0.535